SCHEMBL2864133

SCHEMBL2864133

COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.53
TTK P33981 3/20 0.48
MAPK8 P45983 2/20 0.48
MAP2K4 P45985 6/20 0.47
LRRK2 Q5S007 4/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
CHUK O15111 1/20 0.41
CHEK1 O14757 1/20 0.40
FGFR1 P11362 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
SCHEMBL2868118 0.84 MAP2K4 (0.48) NTRK1TTKMAPK8MAP2K4LRRK2
SCHEMBL2862716 0.81 NTRK1 (0.55) NTRK1TTKMAPK8MAP2K4KDM4E
SCHEMBL2862624 0.81 NTRK1 (0.55) NTRK1TTKMAPK8MAP2K4KDM4E
SCHEMBL2862698 0.80 NTRK1 (0.44) NTRK1TTKMAPK8MAP2K4LRRK2
SCHEMBL2858876 0.79 NTRK1 (0.58) NTRK1TTKMAP2K4KDM4EALDH1A1
SCHEMBL2864251 0.78 MAP2K4 (0.54) NTRK1TTKMAPK8MAP2K4KDM4E
SCHEMBL2858421 0.77 MAP2K4 (0.58) NTRK1TTKMAP2K4ALDH1A1
SCHEMBL2855887 0.76 NTRK1 (0.45) NTRK1MAP2K4LRRK2KDM4EALDH1A1
SCHEMBL27536142 0.75 CHUK (0.46) NTRK1TTKMAPK8MAP2K4LRRK2
SCHEMBL2865225 0.75 MAP2K4 (0.59) TTKMAP2K4

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 8 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
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-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 1241/4885TTK 1201/4885MAPK8 10/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NTRK1 1387/4885TTK 1066/4885MAPK8 9/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NTRK1 1241/4885TTK 1201/4885MAPK8 10/4885

“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.