SCHEMBL6490732

SCHEMBL6490732

O=C(c1ccc2cc(-c3cc[nH]n3)[nH]c2c1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
HPGD P15428 11/20 0.45
RIPK1 Q13546 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GHSR Q92847 2/20 0.43
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 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
SCHEMBL6479001 0.91 NPC1 (0.47) HPGDRIPK1NPC1RAB9AGFER
SCHEMBL6479000 0.89 KDR (0.51) CDK5CDK5R1HPGDRIPK1NPC1
SCHEMBL5754341 0.88 HSP90AA1 (0.41) CDK5CDK5R1NPC1RAB9AGHSR
SCHEMBL6491182 0.82 MAPK14 (0.63) NPC1SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL5759554 0.80 CASP3 (0.58) HPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6489709 0.80 KDR (0.59) HPGDRIPK1MEN1KMT2AHRH3
SCHEMBL5754638 0.79 RET (0.45)
SCHEMBL5753668 0.79 KDR (0.45) NPC1RAB9AHRH3
SCHEMBL5754383 0.76 ROCK2 (0.52) HPGDRIPK1ALDH1A1GLAGAA
SCHEMBL6480272 0.76 HRH4 (0.43) HPGDNPC1RAB9AGFERSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CDK5 94/4885CDK5R1 240/4885HPGD 1550/4885

“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.