SCHEMBL4329328

SCHEMBL4329328

COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CYP2C19 P33261 1/20 0.54
HCRTR1 O43613 4/20 0.53
HCRTR2 O43614 4/20 0.53
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PDE10A Q9Y233 2/20 0.48
NTRK1 P04629 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 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
SCHEMBL4332113 0.88 KDM4E (0.52) RECQLTSHRALDH1A1USP2NPSR1
SCHEMBL4341451 0.87 KDM4E (0.49) RECQLTSHRALDH1A1USP2NPSR1
SCHEMBL4338790 0.84 RECQL (0.48) RECQLCYP1A2CYP3A4TSHRBLM
SCHEMBL2870798 0.84 NTRK1 (0.52) CYP1A2CYP3A4TSHRBLML3MBTL1
SCHEMBL4340974 0.83 NTRK1 (0.49) MAPK1NTRK1
SCHEMBL4329145 0.82 HPGD (0.48) TSHRALDH1A1USP2NPSR1POLB
SCHEMBL4335912 0.81 CDK9 (0.49) MAPK1NTRK1ROCK2NAMPT
SCHEMBL2862186 0.80 SMN1; SMN2 (0.56) HCRTR1HCRTR2MAPK1TP53MAPT
SCHEMBL2864643 0.80 SMN1; SMN2 (0.56) CYP3A4HCRTR1HCRTR2MAPK1TP53
SCHEMBL2863001 0.79 NTRK1 (0.56) MAPK1NTRK1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RECQL 4414/4885CYP1A2 379/4885CYP3A4 569/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RECQL 4414/4885CYP1A2 379/4885CYP3A4 569/4885

“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.