SCHEMBL7274539

SCHEMBL7274539

CSc1cc(C#N)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TERT O14746 1/20 0.33

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
SCHEMBL7274342 0.85 MAP4K4 (0.45) ALDH1A1CYP3A4CYP2A6
SCHEMBL4418842 0.81 KMT2A (0.47) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2318636 0.80 USP2 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL124070 0.78 AR (0.47) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL3642709 0.76 KMT2A (0.48) KMT2AMEN1ALDH1A1GAACYP1A2
SCHEMBL18599493 0.76 AR (0.46) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL28167411 0.76 KMT2A (0.42) KMT2AMEN1ALDH1A1GAACYP1A2
SCHEMBL14685626 0.76 KMT2A (0.44) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL20997528 0.76 KMT2A (0.38) KMT2ASLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL98131 0.74 TTR (0.48) ALDH1A1KDM4EGAACYP2A6LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
EP-2740728-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-06-11 EP disclosed
WO-2013018804-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 大日本住友製薬株式会社 (JP) 2013-02-07 WO disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP 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-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 KMT2A 4525/4885SLC6A2 1450/4885SLC6A4 2801/4885

“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.