SCHEMBL10154867

SCHEMBL10154867

O=C1NCCCc2[nH]c3c(-c4cccnc4)cccc3c21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.48
PARP1 P09874 1/20 0.47
PKN2 Q16513 1/20 0.46
MAPKAPK2 P49137 7/20 0.45
MAPK9 P45984 4/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
KDR P35968 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NPY5R Q15761 1/20 0.39
DYRK1A Q13627 1/20 0.39
BTK Q06187 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
SCHEMBL3573147 0.79 MAPKAPK2 (0.71) CDC7MAPKAPK2MAPK9
SCHEMBL10155063 0.78 TAAR1 (0.45) PARP1PKN2PARP10PARP11CYP11B1
SCHEMBL10154869 0.77 KDR (0.56) PKN2MAPKAPK2MAPK9KDRCYP11B1
SCHEMBL10154880 0.75 NISCH (0.47) CDC7MAPKAPK2MAPK9PARP10PARP11
SCHEMBL3574892 0.73 CDC7 (0.85) CDC7MAPKAPK2MAPK9KDRCDK4
SCHEMBL17847604 0.69 PKN2 (0.56) CDC7PARP1PKN2MAPKAPK2PARP10
SCHEMBL17847617 0.69 PKN2 (0.56) CDC7PARP1PKN2MAPKAPK2PARP10
SCHEMBL619090 0.69 KDR (0.60) PARP1KDRCDK4CCND1
SCHEMBL148203 0.67 TDO2 (0.65) CYP11B1CYP11B2DYRK1A
SCHEMBL29572015 0.67 TDO2 (0.65) CYP11B1CYP11B2DYRK1A

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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC CDC7 2726/4885PARP1 2055/4885PKN2 2172/4885

“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.