SCHEMBL17131663

SCHEMBL17131663

Clc1ccnc2[nH]c3ncccc3c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.63
AURKB Q96GD4 1/20 0.63
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
PARP1 P09874 1/20 0.44
DAO P14920 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
AXL P30530 1/20 0.43
PRKCI P41743 1/20 0.43
PDK2 Q15119 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ERBB2 P04626 1/20 0.41
CHEK1 O14757 1/20 0.41
LRRK2 Q5S007 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL675631 0.81 AURKA (0.68) AURKAAURKBGABRA1GABRG2GABRB3
SCHEMBL31240940 0.81 AURKA (0.68) AURKAAURKBGABRA1GABRG2GABRB3
SCHEMBL7497481 0.79 AURKA (0.45) AURKAAURKBGABRA1GABRG2GABRB3
SCHEMBL679019 0.77 AURKA (1.00) AURKAAURKBPARP1DAOERBB2
SCHEMBL12396544 0.77 AURKA (0.65) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322758 0.77 AURKA (0.65) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL17105348 0.75 AURKA (0.48) AURKAAURKBDAOAXLPRKCI
O-Xylene SCHEMBL15645643 0.75 ERBB2 (0.61) AURKAAURKBGABRA1GABRG2GABRB3
SCHEMBL18243650 0.74 PDK2 (0.57) AURKAAURKBGABRA1GABRG2GABRB3
SCHEMBL17131666 0.74 DYRK1A (0.55) AURKAGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 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 (2 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-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C PRKCQ, PRKCA, PRKCZ AURKA 547/4885AURKB 537/4885GABRA1 3353/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ AURKA 547/4885AURKB 537/4885GABRA1 3353/4885

“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.