SCHEMBL3575790

SCHEMBL3575790

Cc1n[nH]c(C)c1CCNC(=O)Nc1cccc(C#Cc2c(N)ncnc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.44
KIT P10721 4/20 0.39
PDGFRA P16234 2/20 0.39
PDGFRB P09619 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TEK Q02763 2/20 0.37
ALDH1A1 P00352 1/20 0.36
AURKA O14965 1/20 0.36
IKBKE Q14164 1/20 0.36
AURKB Q96GD4 1/20 0.36
BTK Q06187 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL3581177 0.78 ROCK2 (0.41) KDRKITMEN1LMNAMAPT
SCHEMBL3572556 0.77 L3MBTL1 (0.50) KDRKITMEN1LMNAMAPT
SCHEMBL4719226 0.76 KDR (0.58) KDRKITTP53MEN1LMNA
SCHEMBL27716183 0.76 HSD17B10 (0.35) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3582543 0.76 AURKA (0.44) KDRPDGFRBLMNASMN1; SMN2ALDH1A1
SCHEMBL3582443 0.76 KDR (0.46) KDRTP53MEN1LMNAMAPT
SCHEMBL4717500 0.75 GRM5 (0.50) KDRTP53MEN1LMNAMAPT
SCHEMBL3576758 0.75 KDR (0.52) KDRSMN1; SMN2AURKAAURKB
SCHEMBL3579321 0.75 MEN1 (0.53) MEN1MAPTKMT2ALIMK1
SCHEMBL4719248 0.75 PTPN11 (0.50) KDRKITPDGFRBMEN1MAPT

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 KDR 11/4885KIT 27/4885PDGFRA 35/4885

“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.