SCHEMBL3585968

SCHEMBL3585968

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCCCn2cccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CCR3 P51677 6/20 0.39
HTR2A P28223 3/20 0.39
KDR P35968 3/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
DOT1L Q8TEK3 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
QPCT Q16769 1/20 0.37
FGFR3 P22607 2/20 0.37
PIK3R2 O00459 3/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3584139 0.83 CCR3 (0.49) POLBCCR3HTR2AMAPTMEN1
SCHEMBL3580063 0.81 SMN1; SMN2 (0.51) CCR3HTR2AKDRMAPT
SCHEMBL3580616 0.80 KMT2A (0.54) ALDH1A1USP2MEN1TSHRKMT2A
SCHEMBL3579321 0.79 MEN1 (0.53) POLBCCR3MAPTMEN1KMT2A
SCHEMBL3580051 0.79 MEN1 (0.55) POLBCCR3MEN1KMT2A
SCHEMBL3573312 0.77 EPHX2 (0.53) LMNACCR3KDR
SCHEMBL3585126 0.77 NPC1 (0.43) LMNAKDRHTTMEN1TSHR
SCHEMBL3581177 0.77 ROCK2 (0.41) LMNAKDRMAPTHTTMEN1
SCHEMBL4719226 0.77 KDR (0.58) ALDH1A1LMNAKDRMAPTHTT
SCHEMBL3582543 0.76 AURKA (0.44) ALDH1A1LMNAPOLBKDRGAA

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 L3MBTL1 3183/4885ALDH1A1 2198/4885LMNA 2014/4885

“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.