SCHEMBL2864682

SCHEMBL2864682

Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.50
CDK4 P11802 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
IKBKB O14920 1/20 0.43
MAP2K4 P45985 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
AURKA O14965 1/20 0.41
BTK Q06187 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.40
JAK2 O60674 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
SCHEMBL22446034 0.84 MAP2K4 (0.59) CDK2MAPK9MAPK10MAP2K4AURKA
SCHEMBL2864582 0.83 CDK2 (0.47) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL4378603 0.83 MAPKAPK2 (0.45) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2860960 0.80 CDK4 (0.45) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2859865 0.80 MAP2K4 (0.51) MAPKAPK2MAP2K4AURKAADORA2A
SCHEMBL2862300 0.79 MEN1 (0.47) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2863193 0.77 MAPKAPK2 (0.46) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2861529 0.76 MAPKAPK2 (0.53) MAPKAPK2CCNA2CDK2MAPK10IKBKB
SCHEMBL13198226 0.76 SRC (0.49) KDRADORA2AADORA1CYP1A2PIK3CD
SCHEMBL13927625 0.76 IDO1 (0.63) MAPKAPK2CDK4CCNA2CCND1CDK2

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 MAPKAPK2 18/4885CDK4 103/4885CCNA2 398/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPKAPK2 26/4885CDK4 165/4885CCNA2 1567/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPKAPK2 18/4885CDK4 103/4885CCNA2 398/4885

“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.