SCHEMBL4569747

SCHEMBL4569747

CC(C)(C)c1ccnc2c1cnn2C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP17A1 P05093 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 5/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP2D6 P10635 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ABL1 P00519 1/20 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
SCHEMBL21849171 0.81 PI4KA (0.43) CYP1A2CYP17A1SMN1; SMN2MAPK1KMT2A
SCHEMBL26298375 0.79 CYP1A2 (0.55) CYP1A2CYP17A1SMN1; SMN2TSHRCYP3A4
SCHEMBL26661514 0.77 XDH (0.44) CYP1A2CYP17A1TSHRABL1BCR
SCHEMBL368118 0.71 CYP17A1 (1.00) CYP1A2CYP17A1
SCHEMBL4569746 0.70 ABL1 (0.45) CYP1A2CYP17A1SMN1; SMN2TSHRCYP3A4
SCHEMBL4569754 0.70 TNKS (0.33) CYP1A2CYP17A1
SCHEMBL4569752 0.70 CYP3A4 (0.37) CYP1A2CYP17A1SMN1; SMN2TSHRCYP3A4
SCHEMBL14431683 0.69 CYP1A2 (0.41) CYP1A2CYP17A1SMN1; SMN2TSHRCYP3A4
SCHEMBL16544511 0.69 CYP1A2 (0.34) CYP1A2CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL12775644 0.68 CYP1A2 (0.43) CYP1A2CYP17A1SMN1; SMN2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 CYP1A2 3721/4885CYP17A1 3840/4885SMN1; SMN2 4413/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 CYP1A2 3778/4885CYP17A1 3924/4885SMN1; SMN2 3318/4885

“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.