SCHEMBL5754341

SCHEMBL5754341

O=C(c1ccc2cc(-c3cc[nH]n3)[nH]c2c1)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GHSR Q92847 3/20 0.41
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ROCK2 O75116 1/20 0.39
GRM5 P41594 1/20 0.39
KDR P35968 1/20 0.39
GRM3 Q14832 1/20 0.38
GPR183 P32249 1/20 0.38
MAPK14 Q16539 1/20 0.38
OXTR P30559 1/20 0.38
CHEK1 O14757 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL5753668 0.91 KDR (0.45) HSP90AA1HSP90AB1L3MBTL3L3MBTL1NPC1
SCHEMBL6490732 0.88 CDK5 (0.48) GHSRNPC1RAB9ACDK5CDK5R1
SCHEMBL6479000 0.86 KDR (0.51) NPC1RAB9AKDRCDK5CDK5R1
SCHEMBL6491182 0.80 MAPK14 (0.63) L3MBTL1NPC1MAPK14
SCHEMBL6479001 0.79 NPC1 (0.47) NPC1RAB9AKDR
SCHEMBL5752935 0.77 HRH4 (0.41) MAPK14CHEK1GRIN2DGRIN3BGRIN1
SCHEMBL5759554 0.77 CASP3 (0.58) HSP90AA1
SCHEMBL6489709 0.77 KDR (0.59) KDR
SCHEMBL5754638 0.76 RET (0.45) KDR
SCHEMBL5755007 0.75 RAB9A (0.46) NPC1RAB9AKDRMAPK14CHEK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 WO 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 (1 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 HSP90AA1 1650/4885HSP90AB1 1462/4885GHSR 3746/4885

“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.