SCHEMBL4569746

SCHEMBL4569746

CC(C)(C)c1ncnc2c1cnn2C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP17A1 P05093 1/20 0.42
MAPK14 Q16539 1/20 0.40
TSHR P16473 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL22521559 0.80 CYP1A2 (0.47) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL20276307 0.80 PI4KA (0.58) SMN1; SMN2NPC1RAB9AKMT2ATP53
SCHEMBL22521558 0.79 ABL1 (0.45) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL29773082 0.79 PI4KA (0.61) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL156688 0.79 PI4KA (0.61) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL14584045 0.74 SRC (0.33) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL22521600 0.73 ABL1 (0.41) ABL1BCRCYP1A2CYP17A1MAPK14
SCHEMBL11947332 0.71 XDH (0.65) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL14431683 0.70 CYP1A2 (0.41) ABL1BCRCYP1A2CYP17A1TSHR
SCHEMBL4569747 0.70 CYP1A2 (0.55) ABL1BCRCYP1A2CYP17A1MAPK14

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 ABL1 17/4885BCR 142/4885CYP1A2 3721/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 ABL1 89/4885BCR 1115/4885CYP1A2 3778/4885

“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.