SCHEMBL2858876

SCHEMBL2858876

COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.58
MAP2K4 P45985 6/20 0.47
FGFR2 P21802 2/20 0.43
FGFR3 P22607 2/20 0.43
TTK P33981 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
FGFR1 P11362 2/20 0.42
MAPK1 P28482 1/20 0.42
PDE4B Q07343 2/20 0.41
CHEK1 O14757 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
KDR P35968 1/20 0.40
FYN P06241 2/20 0.40

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
SCHEMBL2862716 0.84 NTRK1 (0.55) NTRK1MAP2K4TTKKDM4EALDH1A1
SCHEMBL2857593 0.84 MAP2K4 (0.48) NTRK1MAP2K4FGFR2FGFR3FGFR1
SCHEMBL2862624 0.81 NTRK1 (0.55) NTRK1MAP2K4TTKKDM4EALDH1A1
SCHEMBL2863001 0.79 NTRK1 (0.56) NTRK1MAP2K4TTKHPGDMAPK1
SCHEMBL2864133 0.79 NTRK1 (0.53) NTRK1MAP2K4TTKKDM4EALDH1A1
SCHEMBL2864166 0.78 NTRK1 (0.49) NTRK1MAP2K4TTKFYN
SCHEMBL2864251 0.78 MAP2K4 (0.54) NTRK1MAP2K4TTKKDM4EALDH1A1
SCHEMBL2868827 0.76 MAP2K4 (0.54) NTRK1MAP2K4TTK
SCHEMBL2872610 0.76 DGAT2 (0.56) NTRK1TTKKDM4EHPGDMAPK1
SCHEMBL2870798 0.76 NTRK1 (0.52) NTRK1ALDH1A1MAPK1PDE4B

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 13 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
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
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 NTRK1 1241/4885MAP2K4 61/4885FGFR2 693/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NTRK1 1387/4885MAP2K4 53/4885FGFR2 1093/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NTRK1 1241/4885MAP2K4 61/4885FGFR2 693/4885

“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.