SCHEMBL3585247

SCHEMBL3585247

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
EPHX1 P07099 3/20 0.47
EPHX2 P34913 1/20 0.47
KDR P35968 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAP4K4 O95819 2/20 0.42
BTK Q06187 4/20 0.42
PTGES O14684 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DDX3X O00571 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3576332 0.93 EPHX2 (0.46) POLBEPHX1EPHX2MAP4K4
SCHEMBL3584734 0.85 ROCK2 (0.53) NPC1RAB9AMAP4K4KDM4EALDH1A1
SCHEMBL4719226 0.83 KDR (0.58) EPHX1EPHX2KDRNPC1RAB9A
SCHEMBL3585547 0.83 BTK (0.49) KDRRAB9AMAP4K4BTK
SCHEMBL3576758 0.82 KDR (0.52) KDRNPC1RAB9A
SCHEMBL3584195 0.81 CNR2 (0.49) POLBEPHX2
SCHEMBL4717500 0.80 GRM5 (0.50) POLBKDRMAP4K4ALDH1A1
SCHEMBL3579321 0.80 MEN1 (0.53) POLBEPHX2MAP4K4
SCHEMBL4719248 0.79 PTPN11 (0.50) KDRNPC1RAB9AMAP4K4BTK
SCHEMBL3581857 0.79 SMN1; SMN2 (0.42) KDRNPC1RAB9AMAP4K4BTK

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 POLB 210/4885EPHX1 1321/4885EPHX2 1948/4885

“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.