SCHEMBL10154880

SCHEMBL10154880

O=C1NCCCc2[nH]c3c(Br)cccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.47
KDR P35968 1/20 0.46
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.44
MAPKAPK2 P49137 3/20 0.43
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL7286094 0.91 CDC7 (0.52) NISCHKDRDYRK1AKDM4EHSD17B10
SCHEMBL619090 0.76 KDR (0.60) NISCHKDRKDM4EHSD17B10CDK4
SCHEMBL10154867 0.75 CDC7 (0.48) KDRDYRK1ACDC7MAPKAPK2PARP10
SCHEMBL7283436 0.74 CDC7 (0.52) KDRDYRK1AKDM4ECDC7MAPKAPK2
SCHEMBL7294516 0.74 CDC7 (0.52) KDRDYRK1AKDM4ECDC7MAPKAPK2
SCHEMBL1004259 0.71 KDR (0.55) KDRHSD17B10CDC7MAPKAPK2PARP10
SCHEMBL10154866 0.71 KDR (0.66) KDRKDM4EHSD17B10MAPKAPK2PARP10
SCHEMBL7294857 0.70 MAPKAPK2 (0.50) KDRDYRK1AKDM4ECDC7MAPKAPK2
SCHEMBL3574892 0.70 CDC7 (0.85) KDRDYRK1ACDC7MAPKAPK2CDK4
SCHEMBL6275705 0.70 NISCH (0.64) NISCHDYRK1AKDM4EHSD17B10

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 NISCH 25/4885KDR 2394/4885DYRK1A 1765/4885

“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.