SCHEMBL958429

SCHEMBL958429

CCn1nc(NC(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ADORA3 P0DMS8 3/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ USP2 O75604 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ FSCN1 Q16658 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MEN1 O00255 3/20 0.45

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
SCHEMBL959604 0.85 FSCN1 (0.62) ADORA3FSCN1ADORA1
SCHEMBL17199347 0.80 FSCN1 (0.60) ADORA3RAB9ALMNAFSCN1SMN1; SMN2
SCHEMBL958253 0.80 P2RY14 (0.58) L3MBTL1ADORA3FSCN1ADORA1
SCHEMBL958517 0.78 PTGER4 (0.59) ADORA3RAB9ALMNAFSCN1SMN1; SMN2
SCHEMBL30695030 0.78 FSCN1 (0.76) ADORA3RAB9AFSCN1NPC1
SCHEMBL17038972 0.78 FSCN1 (0.76) ADORA3RAB9AFSCN1NPC1
SCHEMBL957835 0.77 PTGER4 (0.62) MAPTL3MBTL1ADORA3FSCN1SMN1; SMN2
SCHEMBL958176 0.75 CPT1A (0.70) ATMADORA3RAB9ALMNAFSCN1
SCHEMBL960247 0.74 FSCN1 (0.53) KDM4EMAPTMAPK1ADORA3RAB9A
SCHEMBL17038832 0.74 FSCN1 (0.59) KDM4EALDH1A1MAPTMAPK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US claimed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 — — CN claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 — — US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 — — US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US disclosed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 — — CN disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 — — 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 (2 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885ALDH1A1 138/4885MAPT 1763/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885ALDH1A1 138/4885MAPT 1763/4885

“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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