SCHEMBL2867207

SCHEMBL2867207

O=C(NC1CC1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
CHEK1 O14757 1/20 0.46
WNT1 P04628 6/20 0.43
DYRK1A Q13627 6/20 0.43
GSK3B P49841 2/20 0.41
KCNH2 Q12809 2/20 0.41
MAPK8 P45983 1/20 0.41
MAP3K5 Q99683 1/20 0.41
CDK2 P24941 2/20 0.41
KLK7 P49862 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL2861793 0.85 DYRK1A (0.53) KDRWNT1DYRK1AGSK3BMAPK8
SCHEMBL2864604 0.85 RAB9A (0.54) KDRCHEK1CDK2KLK7RAB9A
SCHEMBL2861587 0.82 KDR (0.49) KDRCHEK1WNT1DYRK1AGSK3B
SCHEMBL2862300 0.82 MEN1 (0.47) KDRMAPK8CDK2CDK4CCNA2
SCHEMBL2862938 0.82 MAPK10 (0.50) KDRCHEK1WNT1DYRK1AKCNH2
SCHEMBL4149028 0.81 KDR (0.47) KDRCHEK1WNT1DYRK1ANPC1
SCHEMBL4149026 0.81 KDR (0.47) KDRCHEK1WNT1DYRK1ANPC1
SCHEMBL2870995 0.81 MCHR1 (0.47) KDRCHEK1MAPK8NPC1RAB9A
SCHEMBL4140548 0.80 PIM1 (0.51) KDRCHEK1WNT1DYRK1AMAPK8
SCHEMBL4338646 0.80 GSK3B (0.54) GSK3BKCNH2NPC1RAB9A

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 11 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

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 KDR 2411/4885CHEK1 391/4885WNT1 77/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDR 3273/4885CHEK1 413/4885WNT1 77/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDR 2411/4885CHEK1 391/4885WNT1 77/4885

“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.