Sugi Predict

Sugi Predict / Compounds / SCHEMBL5210609

SCHEMBL5210609

SCHEMBL5210609

Cc1c(-c2cccs2)n[nH]c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADORA2A P29274 6/20 0.40
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ADORA1 P30542 5/20 0.39
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7478421 0.75 GABRA1 (0.41) SMN1; SMN2KDM4EALDH1A1ALPLHPGD
SCHEMBL624711 0.75 MEN1 (0.45) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL7414595 0.73 MAPT (0.34) MAPTL3MBTL1
SCHEMBL8812221 0.73 FASN (0.34) MAPT
SCHEMBL1701249 0.71 KDM4E (0.41) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL24363085 0.70 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1HPGDADORA2A
SCHEMBL3252647 0.70 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1HSD17B10ADORA2A
SCHEMBL28454459 0.68 RPS6KB2 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6632710 0.68 NPC1 (0.34) MAPTL3MBTL1RXFP1
SCHEMBL2591881 0.68 MAPT (0.45) SMN1; SMN2KDM4EALDH1A1ALPLHPGD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 — — US disclosed
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 — — US disclosed
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 — — US disclosed
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 — — US disclosed
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 — — US disclosed
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 — — US disclosed
EP-1024138-B1 PYRAZOLE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-04-25 — — EP disclosed
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. 2006-11-23 — — US disclosed
US-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 — — US disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 — — US disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 — — US disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 — — US disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 — — EP 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 (3 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-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 SMN1; SMN2 4190/4885KDM4E 2609/4885ALDH1A1 3447/4885
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis RYR2, HRH4, RYR1 SMN1; SMN2 4791/4885KDM4E 1999/4885ALDH1A1 2916/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 SMN1; SMN2 3702/4885KDM4E 2975/4885ALDH1A1 1623/4885

“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.