SCHEMBL4037834

SCHEMBL4037834

C#Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 3/20 0.68
HTT P42858 2/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 1/20 0.62
KDR P35968 1/20 0.61
TP53 P04637 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
GAA P10253 1/20 0.58
GRIK1 P39086 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NTRK1 P04629 1/20 0.54
CDK19 Q9BWU1 1/20 0.54

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
SCHEMBL30080659 1.00 KMT2A (0.68) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4035224 0.91 MAPT (0.57) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4039305 0.91 MAPT (0.57) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5444452 0.90 BAZ1A (0.66) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4219457 0.90 MAPT (0.71) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5597699 0.86 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4749975 0.86 MEN1 (0.60) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30101230 0.86 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17936093 0.85 MAPT (0.74) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17818404 0.85 MAPT (0.70) KMT2AMAPTMEN1HTTRAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
EP-3246327-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF Si Chuan University (CN) 2017-11-22 EP disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
WO-2016112846-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF 四川大学 2016-07-21 WO disclosed
WO-2009100536-A1 INHIBITORS OF KINASE ACTIVITY WITH 1,2-DI-CYCLYL SUBSTITUTED ALKYNE STRUCTURES METHYLGENE INC. (CA) 2009-08-20 WO disclosed
WO-2009100536-A1 INHIBITORS OF KINASE ACTIVITY WITH 1,2-DI-CYCLYL SUBSTITUTED ALKYNE STRUCTURES METHYLGENE INC. (CA) 2009-08-20 WO disclosed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 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 (2 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-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 KMT2A 3206/4885MAPT 4218/4885MEN1 1370/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 KMT2A 3206/4885MAPT 4218/4885MEN1 1370/4885

“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.