SCHEMBL2864604

SCHEMBL2864604

COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDR P35968 6/20 0.53
CDK4 P11802 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
CCND3 P30281 1/20 0.53
KLK7 P49862 1/20 0.48
CHEK1 O14757 4/20 0.47
PDE4B Q07343 3/20 0.46
AURKA O14965 3/20 0.45
MET P08581 3/20 0.45
TEK Q02763 3/20 0.45
AURKB Q96GD4 2/20 0.45
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
FGR P09769 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL13635761 0.87 CDK4 (0.57) RAB9AKDRCDK4CCNA2CCND1
SCHEMBL4331277 0.86 MAPK1 (0.47) RAB9AL3MBTL1KDRCDK4CCNA2
SCHEMBL2861022 0.86 KDR (0.50) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2867207 0.85 KDR (0.48) RAB9AKDRCDK4CCNA2CCND1
SCHEMBL2868590 0.84 DYRK1A (0.50) RAB9AL3MBTL1CHEK1
SCHEMBL2858040 0.83 CDK4 (0.60) RAB9AKDRCDK4CCNA2CCND1
SCHEMBL2870547 0.83 RAB9A (0.48) RAB9AL3MBTL1KDRCHEK1AURKA
SCHEMBL2864594 0.82 KDR (0.47) RAB9AL3MBTL1KDRCDK4CCNA2
SCHEMBL4341430 0.81 CDK4 (0.51) RAB9AKDRCDK4CCNA2CCND1
SCHEMBL4333955 0.81 KDM4E (0.56) RAB9AALDH1A1SMN1; SMN2

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 RAB9A 2355/4885L3MBTL1 2399/4885KDR 2411/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 RAB9A 2697/4885L3MBTL1 3204/4885KDR 3273/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RAB9A 2355/4885L3MBTL1 2399/4885KDR 2411/4885

“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.