SCHEMBL4569757

SCHEMBL4569757

CC(C)(C)c1ncnc2c1ccn2C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
SRC P12931 2/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL19678823 0.80 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL15079235 0.80 NOTUM (0.44) SRCKDR
SCHEMBL22521400 0.79 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL12149777 0.79 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL12985280 0.79 SLC22A12 (0.41) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL12939265 0.76 RAB9A (0.40) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL22521390 0.76 YTHDC1 (0.40) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL22521396 0.76 ALDH1A1 (0.43) PI4KAPI4K2BPI4K2API4KBLCK
SCHEMBL10149307 0.76 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL22509631 0.75 PRMT5 (0.35) PI4KAPI4K2BPI4K2API4KBSRC

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 4 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-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 PI4KA 438/4885PI4K2B 488/4885PI4K2A 722/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 PI4KA 269/4885PI4K2B 360/4885PI4K2A 408/4885

“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.