SCHEMBL332545

SCHEMBL332545

Cc1ncnc2c(F)c(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ RET P07949 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ MET P08581 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ PRKACA P17612 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14830206 0.84 CYP3A4 (0.34) ABCB1ABCG2
SCHEMBL21328888 0.76 ALDH1A1 (0.40) ABCB1ABCG2MKNK1
SCHEMBL2775914 0.76 MAP4K4 (0.44) ABCB1ABCG2HSP90AB1AURKADAPK3
SCHEMBL29416474 0.76 ALDH1A1 (0.40) ABCB1ABCG2MKNK1
SCHEMBL13783327 0.76 PARP1 (0.44) MKNK1AURKA
SCHEMBL21339894 0.76 ABCG2 (0.41) ABCB1ABCG2MKNK1
SCHEMBL22280199 0.72 CCR1 (0.65) CCR1CCR5CCR8
SCHEMBL26315454 0.71 CCR1 (0.40) CHRM4CCR1CCR5CCR8
SCHEMBL20202028 0.70 PIK3R1 (0.39) PIK3R1PIK3CARETKDR
SCHEMBL24122086 0.68 CYP2A6 (0.43) ABCG2CLK2GSK3BROCK1DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 — — US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 — — US disclosed
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 — — US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 — — US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 — — US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 — — US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 — — US disclosed
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 — — US disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 — — EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 — — EP disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 — — US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 — — US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 — — US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 — — US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B ABCB1 701/4885ABCG2 765/4885MKNK1 1864/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV ABCB1 2457/4885ABCG2 1426/4885MKNK1 3109/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B ABCB1 701/4885ABCG2 765/4885MKNK1 1864/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ABCB1 742/4885ABCG2 1269/4885MKNK1 1125/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B ABCB1 701/4885ABCG2 765/4885MKNK1 1864/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES ABCB1 792/4885ABCG2 1469/4885MKNK1 1461/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES ABCB1 742/4885ABCG2 1269/4885MKNK1 1125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback