SCHEMBL2860960

SCHEMBL2860960

N#Cc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
KDR P35968 1/20 0.45
MAPKAPK2 P49137 1/20 0.42
LRRK2 Q5S007 5/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ITK Q08881 2/20 0.40
CHEK1 O14757 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
MAP2K4 P45985 1/20 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
SCHEMBL19544772 0.82 LRRK2 (0.51) KDRLRRK2CHEK1MAP2K4TRPA1
SCHEMBL2868118 0.82 MAP2K4 (0.48) LRRK2MAPK8ADORA2AADORA1MAP2K4
SCHEMBL2864682 0.80 MAPKAPK2 (0.50) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2864582 0.80 CDK2 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4139672 0.78 CHEK1 (0.55) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4139675 0.78 CHEK1 (0.55) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2859875 0.78 MAPKAPK2 (0.46) MAPKAPK2LRRK2MAPK10CYP11B1CYP11B2
SCHEMBL4083128 0.77 ITK (0.64) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4378603 0.77 MAPKAPK2 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4146053 0.76 PIM1 (0.50) 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 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 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.