SCHEMBL3181345

SCHEMBL3181345

NC(=O)[CH]c1ccc(F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ SLC2A1 P11166 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FADS1 O60427 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ RPA1 P27694 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3176520 0.85 KCNA3 (0.39) IDO1SLC2A1KMT2AALDH1A1NPSR1
SCHEMBL8147095 0.84 PELI1 (0.44) IDO1
SCHEMBL8147089 0.84 PELI1 (0.44) IDO1
SCHEMBL3161665 0.82 PLA2G7 (0.49) IDO1TRPA1KMT2AALDH1A1NPC1
SCHEMBL3172066 0.82 ALDH1A1 (0.56) TSHRKMT2AALDH1A1NPC1RAB9A
SCHEMBL15419066 0.79 TSHR (0.43) SLC2A1TRPA1TSHRMEN1KMT2A
SCHEMBL15157522 0.79 TRPA1 (0.41) IDO1SLC2A1TRPA1CASP1ITGB3
SCHEMBL12498039 0.78 IDO1 (0.40) IDO1SLC2A1TRPA1CASP1ITGB3
SCHEMBL42757 0.75 ALDH1A1 (0.64) SLC2A1TRPA1TSHRMEN1KMT2A
SCHEMBL29472390 0.75 ALDH1A1 (0.64) SLC2A1TRPA1TSHRMEN1KMT2A

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-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP disclosed
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 — — EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 — — US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 — — US disclosed
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 — — EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 — — US disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 — — US 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 (8 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP IDO1 2143/4885SLC2A1 2952/4885TRPA1 4875/4885
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 IDO1 4316/4885SLC2A1 3823/4885TRPA1 4876/4885
US-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 IDO1 936/4885SLC2A1 4309/4885TRPA1 4883/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP IDO1 2143/4885SLC2A1 2952/4885TRPA1 4875/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE IDO1 1066/4885SLC2A1 3944/4885TRPA1 4874/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 IDO1 1059/4885SLC2A1 4205/4885TRPA1 4882/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE IDO1 1066/4885SLC2A1 3944/4885TRPA1 4874/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 IDO1 3678/4885SLC2A1 2303/4885TRPA1 356/4885

“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.

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