SCHEMBL4338790

SCHEMBL4338790

COc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL2864651 0.88 APEX1 (0.52) TP53ALDH1A1KDM4EUSP2ROCK2
SCHEMBL4329328 0.84 RECQL (0.60) RECQLHCRTR1HCRTR2TP53CYP1A2
SCHEMBL4343211 0.82 MAP4K4 (0.45) TP53LMNANTRK1
SCHEMBL4339183 0.82 HPGD (0.48) TSHRL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL4335949 0.81 CDK9 (0.44) ALDH1A1KDM4EROCK2HTTGAA
SCHEMBL4332113 0.81 KDM4E (0.52) RECQLTSHRLMNAALDH1A1KMT2A
SCHEMBL4341451 0.81 KDM4E (0.49) RECQLTSHRLMNAALDH1A1KMT2A
SCHEMBL2864882 0.80 TP53 (0.53) TP53ALDH1A1KDM4EUSP2ROCK2
SCHEMBL13927768 0.80 KDM4E (0.47) RECQLCYP1A2CYP3A4TSHRBLM
SCHEMBL6428413 0.79 THRB (0.46) RECQLCYP1A2CYP3A4TSHRBLM

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 4414/4885HCRTR1 552/4885HCRTR2 529/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RECQL 4414/4885HCRTR1 552/4885HCRTR2 529/4885

“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.