SCHEMBL3581857

SCHEMBL3581857

Cc1cnc(CNC(=O)Nc2cccc(C#Cc3c(N)ncnc3N)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
KDR P35968 9/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
KIT P10721 5/20 0.39
TEK Q02763 5/20 0.39
LIMK1 P53667 3/20 0.39
LIMK2 P53671 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
PDGFRB P09619 2/20 0.38
PLK4 O00444 2/20 0.38
MAP4K4 O95819 2/20 0.38
FES P07332 2/20 0.38
FLT1 P17948 2/20 0.38
MARK3 P27448 2/20 0.38
AXL P30530 2/20 0.38

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
SCHEMBL3578577 0.84 GRM5 (0.43) SMN1; SMN2ALOX15KDRNPC1RAB9A
SCHEMBL3578240 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALOX15KDRNPC1RAB9A
SCHEMBL3576758 0.82 KDR (0.52) SMN1; SMN2KDRNPC1RAB9AAURKA
SCHEMBL3582789 0.81 AURKB (0.42) SMN1; SMN2ALOX15KDRKITTEK
SCHEMBL3588002 0.80 L3MBTL1 (0.64) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL3581749 0.79 KDR (0.39) SMN1; SMN2ALOX15MAPKAPK2KDRNPC1
SCHEMBL3585247 0.79 POLB (0.53) KDRNPC1RAB9AMAP4K4BTK
SCHEMBL4719226 0.79 KDR (0.58) SMN1; SMN2KDRNPC1RAB9ATSHR
SCHEMBL13500333 0.79 KDR (0.38) SMN1; SMN2ALOX15KDRNPC1RAB9A
SCHEMBL3578306 0.78 ROCK2 (0.52) SMN1; SMN2ALOX15KDRNPC1RAB9A

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 SMN1; SMN2 3824/4885ALOX15 1835/4885MAPKAPK2 3231/4885

“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.