SCHEMBL3582543

SCHEMBL3582543

Cc1cc(C)n(CCNC(=O)Nc2cccc(C#Cc3c(N)ncnc3N)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
IKBKE Q14164 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 1/20 0.40
LIMK1 P53667 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 4/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
BRAF P15056 1/20 0.38
PDGFRB P09619 1/20 0.37
HDAC1 Q13547 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3579321 0.81 MEN1 (0.53) LIMK1POLB
SCHEMBL3578240 0.81 SMN1; SMN2 (0.50) AURKAIKBKEAURKBSMN1; SMN2HTT
SCHEMBL3580051 0.80 MEN1 (0.55) LIMK1POLB
SCHEMBL3573312 0.79 EPHX2 (0.53) AURKASMN1; SMN2LIMK1LMNAKDR
SCHEMBL3584139 0.78 CCR3 (0.49) POLB
SCHEMBL3581857 0.77 SMN1; SMN2 (0.42) AURKAAURKBSMN1; SMN2LIMK1KDR
SCHEMBL4719226 0.77 KDR (0.58) AURKAIKBKEAURKBSMN1; SMN2LIMK1
SCHEMBL3585968 0.76 L3MBTL1 (0.41) HTTLMNAGAAKDRPOLB
SCHEMBL3582443 0.76 KDR (0.46) AURKAAURKBSMN1; SMN2HTTLMNA
SCHEMBL3578577 0.76 GRM5 (0.43) AURKAAURKBSMN1; SMN2NAMPTLIMK1

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-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
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 AURKA 164/4885IKBKE 268/4885AURKB 147/4885

“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.