SCHEMBL3584734

SCHEMBL3584734

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCC2CCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 1/20 0.49
MAP4K4 O95819 2/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3574135 0.89 ROCK2 (0.54) ROCK2RAB9AHPGDMAPTNPC1
SCHEMBL3585547 0.88 BTK (0.49) ROCK2RAB9AMAP4K4
SCHEMBL3585247 0.85 POLB (0.53) RAB9AMAP4K4NPC1KDM4EALDH1A1
SCHEMBL3576332 0.85 EPHX2 (0.46) MAP4K4
SCHEMBL4719226 0.77 KDR (0.58) ROCK2RAB9AMAPTMAP4K4NPC1
SCHEMBL3576758 0.76 KDR (0.52) RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3579321 0.76 MEN1 (0.53) MAPTMAP4K4
SCHEMBL3573312 0.76 EPHX2 (0.53) MAP4K4SMN1; SMN2LMNA
SCHEMBL13500327 0.76 MAPT (0.56) ROCK2RAB9AHPGDMAPTMAP4K4
SCHEMBL3580051 0.76 MEN1 (0.55) MAP4K4

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 ROCK2 1193/4885RAB9A 2942/4885HPGD 1559/4885

“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.