SCHEMBL2861469

SCHEMBL2861469

COc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
KDR P35968 1/20 0.48
HPGD P15428 4/20 0.47
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 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
SCHEMBL2866831 0.85 CSNK1D (0.51) HPGDALDH1A1GAANPC1SMN1; SMN2
SCHEMBL2864589 0.84 HPGD (0.44) HPGDTP53GLAMAPK1ALDH1A1
SCHEMBL2860995 0.82 HPGD (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4144980 0.78 HPGD (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL13635761 0.77 CDK4 (0.57) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4151425 0.77 HPGD (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4151421 0.77 HPGD (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4332486 0.76 KDM4E (0.48) HPGDMAPK1ALDH1A1KDM4EPOLB
SCHEMBL4340622 0.76 KMT2A (0.52) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4341021 0.76 MAPT (0.49) CDK4CCNA2CCND1CDK2CCND3

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 11 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
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-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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CDK4 103/4885CCNA2 398/4885CCND1 210/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CDK4 165/4885CCNA2 1567/4885CCND1 655/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CDK4 103/4885CCNA2 398/4885CCND1 210/4885

“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.