SCHEMBL4108286

SCHEMBL4108286

COc1ccc(-c2cc(Nc3ccccc3NC(=O)c3ccc(N)cc3)ncn2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
CDK9 P50750 4/20 0.50
PTK2 Q05397 1/20 0.49
F10 P00742 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EGFR P00533 1/20 0.48
ERBB3 P21860 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL1244349 0.91 CDK9 (0.60) ADORA3CDK9CYP1A2CYP3A4CYP2D6
SCHEMBL4098044 0.87 EGFR (0.54) ADORA3CDK9CYP1A2CYP2D6CYP2C19
SCHEMBL1243636 0.84 CDK9 (0.46) ADORA3CDK9CYP1A2CYP2C19HDAC1
SCHEMBL5734993 0.81 EGFR (0.68) ADORA3CDK9CYP1A2CYP2D6CYP2C19
SCHEMBL4108197 0.80 EGFR (0.53) ADORA3CDK9CYP1A2CYP2D6CYP2C19
SCHEMBL1243609 0.80 CDK9 (0.65) CDK9CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL4108457 0.79 CYP1A2 (0.58) CDK9CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4108453 0.77 ABL1 (0.57) ADORA3CDK9CYP1A2CYP3A4CYP2D6
SCHEMBL4790476 0.74 EGFR (0.67) ADORA3CDK9CYP1A2CYP2D6CYP2C19
SCHEMBL4116500 0.74 CDK9 (0.55) ADORA3CDK9CYP1A2CYP2D6CYP2C19

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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed

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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 ADORA3 1865/4885CDK9 97/4885PTK2 80/4885

“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.