SCHEMBL3576068

SCHEMBL3576068

Cc1ccccc1CNC(=O)Nc1cncc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NAMPT P43490 4/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SCN2A Q99250 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
CYP2C9 P11712 1/20 0.41
RET P07949 1/20 0.41
ACACB O00763 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 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
SCHEMBL3574459 0.87 MAPK1 (0.53) NAMPTROCK2ROCK1ALDH1A1KMT2A
SCHEMBL3579748 0.85 ALOX5 (0.50) NAMPTRET
SCHEMBL13500273 0.84 NPC1 (0.51) NPC1RAB9ANAMPTROCK2ROCK1
SCHEMBL3579085 0.82 SCN2A (0.47) NAMPTALDH1A1KMT2AMEN1SCN2A
SCHEMBL3575251 0.81 SCN2A (0.49) NAMPTSCN2ASCN10ACYP2C9RET
SCHEMBL4638868 0.76 RET (0.41) RET
SCHEMBL3666096 0.74 LCK (0.54) NAMPTRET
SCHEMBL3587488 0.72 LCK (0.49) RAB9APKMMAPK1
SCHEMBL3583017 0.72 LCK (0.44) RET
SCHEMBL13499910 0.72 MAPT (0.42) ALDH1A1KMT2AMEN1GAAKDM4E

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 4 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
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 NPC1 4705/4885RAB9A 2942/4885NAMPT 134/4885

“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.