SCHEMBL3585547

SCHEMBL3585547

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCC2COCCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.49
ROCK2 O75116 1/20 0.41
MAPK1 P28482 3/20 0.39
KDR P35968 3/20 0.38
MAP4K4 O95819 3/20 0.38
GRM4 Q14833 2/20 0.37
RAB9A P51151 1/20 0.37
PDGFRB P09619 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
SCHEMBL3584734 0.88 ROCK2 (0.53) ROCK2MAP4K4RAB9A
SCHEMBL3576332 0.84 EPHX2 (0.46) MAP4K4
SCHEMBL3585247 0.83 POLB (0.53) BTKKDRMAP4K4RAB9A
SCHEMBL3573312 0.77 EPHX2 (0.53) KDRMAP4K4PDGFRB
SCHEMBL3574135 0.77 ROCK2 (0.54) ROCK2RAB9A
SCHEMBL4719226 0.77 KDR (0.58) BTKROCK2KDRMAP4K4RAB9A
SCHEMBL13500333 0.76 KDR (0.38) BTKROCK2KDRMAP4K4RAB9A
SCHEMBL3580063 0.76 SMN1; SMN2 (0.51) KDRPDGFRB
SCHEMBL3576758 0.76 KDR (0.52) KDRRAB9A
SCHEMBL3582789 0.75 AURKB (0.42) ROCK2MAPK1KDRMAP4K4

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 BTK 218/4885ROCK2 1193/4885MAPK1 1243/4885

“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.