SCHEMBL3635486

SCHEMBL3635486

Nc1nc(Nc2ccccc2)c2c(n1)C(=O)NC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
TYK2 P29597 1/20 0.43
CHUK O15111 1/20 0.43
EGFR P00533 4/20 0.43
MAPT P10636 4/20 0.43
BCL6 P41182 3/20 0.41
ROCK1 Q13464 1/20 0.38
PYGM P11217 1/20 0.38
BTK Q06187 1/20 0.37
THRB P10828 1/20 0.36
MAPK14 Q16539 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
SCHEMBL12391860 0.70 KDR (1.00) KDRCHUKEGFRMAPTBCL6
SCHEMBL2479595 0.69 HTR2C (0.52) KDRCHUKEGFRMAPTBCL6
SCHEMBL9643328 0.65 MAPT (0.58) KDRCHUKEGFRMAPTBCL6
SCHEMBL4969317 0.64 NPY5R (0.66) EGFRROCK1MAPK14
SCHEMBL30186735 0.62 ADORA2A (0.59) KDREGFRMAPTBCL6
SCHEMBL30162764 0.62 CHUK (0.50) KDRCHUKEGFRMAPTBCL6
SCHEMBL28229106 0.62 MAPT (0.47) KDRCHUKEGFRMAPTBCL6
SCHEMBL5355400 0.62 CHUK (0.50) KDRCHUKEGFRMAPTBCL6
SCHEMBL8834089 0.61 KDR (0.46) KDRTYK2EGFRMAPTROCK1
SCHEMBL5355413 0.61 BRAF (0.73)

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
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP claimed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US claimed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 KDR 2439/4885TYK2 3907/4885CHUK 1432/4885

“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.