SCHEMBL18944009

SCHEMBL18944009

Ic1cccc(-c2cnc3[nH]c(-c4cccnc4)cc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
CLK2 P49760 3/20 0.45
CLK3 P49761 3/20 0.45
DYRK1A Q13627 3/20 0.45
RIPK1 Q13546 5/20 0.43
WNT1 P04628 1/20 0.42
KARS1 Q15046 1/20 0.41
ULK1 O75385 1/20 0.41
BRD4 O60885 1/20 0.40
CYP2A6 P11509 3/20 0.40
HPGDS O60760 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18944014 0.88 ULK1 (0.42) CLK2CLK3DYRK1ARIPK1WNT1
SCHEMBL18944017 0.88 ULK1 (0.44) RIPK1ULK1BRD4
SCHEMBL18944010 0.87 BRD4 (0.51) RIPK1ULK1BRD4
SCHEMBL18944012 0.82 CCNB2 (0.46) RIPK1ULK1BRD4HPGDSMAPK1
SCHEMBL18944011 0.81 FYN (0.43) ULK1BRD4MAPK1
SCHEMBL15750395 0.77 CYP2A6 (0.62) CYP19A1KARS1CYP2A6
SCHEMBL1780991 0.75 CYP19A1 (0.66) CYP19A1CLK2CLK3DYRK1ARIPK1
SCHEMBL18944018 0.75 ULK1 (0.45) ULK1BRD4
SCHEMBL18944015 0.75 CDK9 (0.38) ULK1BRD4
SCHEMBL28461095 0.75 CYP19A1 (0.54) CYP19A1CLK2CLK3DYRK1ARIPK1

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-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 CYP19A1 2379/4885CLK2 331/4885CLK3 514/4885

“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.