SCHEMBL958253

SCHEMBL958253

Cc1ccc(C(=O)Nc2nn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 7/20 0.58
FSCN1 Q16658 1/20 0.57
PTGER4 P35408 3/20 0.53
F2RL3 Q96RI0 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CPT1A P50416 1/20 0.48
CPT1B Q92523 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 1/20 0.47

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 0.91 FSCN1 (0.62) P2RY14FSCN1PTGER4F2RL3HDAC3
SCHEMBL958517 0.89 PTGER4 (0.59) P2RY14FSCN1PTGER4F2RL3HDAC3
SCHEMBL30695118 0.89 FSCN1 (0.70) P2RY14FSCN1PTGER4HDAC3HDAC1
SCHEMBL17039037 0.89 FSCN1 (0.70) P2RY14FSCN1PTGER4HDAC3HDAC1
SCHEMBL957835 0.87 PTGER4 (0.62) FSCN1PTGER4HDAC1CPT1ACPT1B
SCHEMBL17038844 0.85 FSCN1 (0.55) P2RY14FSCN1PTGER4F2RL3HDAC3
SCHEMBL30694994 0.85 FSCN1 (0.55) P2RY14FSCN1PTGER4F2RL3HDAC3
SCHEMBL960247 0.84 FSCN1 (0.53) P2RY14FSCN1PTGER4ADORA3
SCHEMBL17199347 0.83 FSCN1 (0.60) FSCN1PTGER4F2RL3HDAC3HDAC1
SCHEMBL17038832 0.82 FSCN1 (0.59) FSCN1PTGER4F2RL3HDAC3HDAC1

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 P2RY14 1643/4885FSCN1 4651/4885PTGER4 1048/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 P2RY14 1643/4885FSCN1 4651/4885PTGER4 1048/4885

“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.