SCHEMBL3581177

SCHEMBL3581177

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCCc2ccncn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
KDR P35968 4/20 0.40
CNR1 P21554 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PRMT3 O60678 1/20 0.37
FGFR3 P22607 1/20 0.37
BTK Q06187 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL3572556 0.84 L3MBTL1 (0.50) ROCK2KDRCA12CA1CA2
SCHEMBL3585126 0.79 NPC1 (0.43) KDRMEN1KMT2AALOX15SMN1; SMN2
SCHEMBL4719226 0.79 KDR (0.58) ROCK2KDRCA12CA1CA2
SCHEMBL3582443 0.78 KDR (0.46) KDRCA12CA1CA2CA9
SCHEMBL3575790 0.78 KDR (0.44) KDRCA12CA1CA2CA9
SCHEMBL3576758 0.78 KDR (0.52) KDRSMN1; SMN2HTTNPC1RAB9A
SCHEMBL3579321 0.78 MEN1 (0.53) CNR1MEN1MAPTKMT2APRMT3
SCHEMBL3588002 0.78 L3MBTL1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL3573312 0.77 EPHX2 (0.53) KDRCNR1SMN1; SMN2LMNAKIT
SCHEMBL3585546 0.77 KDR (0.39) KDRFGFR3TEKABL1BCR

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 1193/4885KDR 11/4885CNR1 2409/4885

“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.