SCHEMBL2864594

SCHEMBL2864594

COc1c(C(=O)NC2CC2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
KLK7 P49862 1/20 0.45
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
MCHR1 Q99705 1/20 0.42
PTK2 Q05397 1/20 0.41
PDE4B Q07343 3/20 0.41
SLC6A3 Q01959 1/20 0.41
CD38 P28907 1/20 0.41
DYRK1A Q13627 1/20 0.41
NPC1 O15118 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
SCHEMBL13198243 0.87 MAPK1 (0.41) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4333000 0.87 MAPK1 (0.41) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2864362 0.86 GSK3B (0.44) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2861587 0.85 KDR (0.49) KDRRAB9ALRRK2MCHR1DYRK1A
SCHEMBL2861298 0.85 DYRK1A (0.49) KDRLRRK2CNR1CNR2DYRK1A
SCHEMBL2861482 0.84 CDK4 (0.48) KDRRAB9ACDK4CCNA2CCND1
SCHEMBL13635355 0.83 KDM4E (0.42) KDRRAB9ACDK4CCNA2CCND1
SCHEMBL13636075 0.83 CDK4 (0.47) KDRCDK4CCNA2CCND1CDK2
SCHEMBL13198250 0.82 HDAC6 (0.50) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4348178 0.82 LMNA (0.45) KDRCDK4CCNA2CCND1CDK2

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
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 2411/4885KLK7 4477/4885RAB9A 2355/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDR 3273/4885KLK7 4453/4885RAB9A 2697/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDR 2411/4885KLK7 4477/4885RAB9A 2355/4885

“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.