SCHEMBL2863485

SCHEMBL2863485

CC(=O)Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
KDR P35968 1/20 0.46
ITK Q08881 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK8 P45983 4/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TTK P33981 5/20 0.43
MAPK1 P28482 2/20 0.43
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL4334542 0.85 GSK3B (0.53) CDK2ITKGSK3B
SCHEMBL2867504 0.84 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4340833 0.82 SMN1; SMN2 (0.47) ITKNPC1RAB9AMAPK1
SCHEMBL2862092 0.81 MAPK10 (0.49) CDK2ITKMAPKAPK2
SCHEMBL2861016 0.80 ITK (0.68) ITKMAPK8TTKMAPKAPK2UTRN
SCHEMBL4340567 0.80 DYRK1A (0.45) GSK3BDYRK1ATTKMAPK1
SCHEMBL2868770 0.80 AURKA (0.51) NPC1RAB9AAURKBTTK
SCHEMBL4335983 0.79 MEN1 (0.51) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4334963 0.79 MEN1 (0.51) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2862300 0.79 MEN1 (0.47) 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 12 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
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 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.