SCHEMBL7783301

SCHEMBL7783301

N=C(N)CSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
IDO1 P14902 3/20 0.43
NOS1 P29475 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL6955291 0.98 FFAR1 (0.54) FFAR1MAPK1ALDH1A1IDO1NOS1
SCHEMBL7784824 0.78 ALDH1A1 (0.50) ALDH1A1IDO1KMT2AHSD17B10POLB
SCHEMBL1170312 0.77 FFAR1 (0.68) FFAR1MAPK1ALDH1A1CA1CA2
SCHEMBL1932674 0.77 FFAR1 (0.56) FFAR1MAPK1ALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL11849726 0.77 IDO1 (0.48) MAPK1ALDH1A1IDO1KMT2APOLB
Hydrochloric Acid SCHEMBL11858738 0.77 ALDH1A1 (0.49) ALDH1A1IDO1KMT2AHSD17B10POLB
Hydrochloric Acid SCHEMBL11857224 0.77 SMN1; SMN2 (0.63) ALDH1A1IDO1MAOAMAOBKMT2A
SCHEMBL7692785 0.77 HTR3E (0.51) MAPK1ALDH1A1IDO1NOS1NOS3
Hydrochloric Acid SCHEMBL3043801 0.76 FFAR1 (0.65) FFAR1MAPK1ALDH1A1CA1CA2
SCHEMBL194865 0.75 FFAR1 (0.65) FFAR1MAPK1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10085986-B2 Pyrimidinone compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 US disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 US disclosed
EP-2729453-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2014-05-14 EP disclosed
EP-2446033-B1 METHOD OF PREPARING AN ADDUCT UNIV STRASBOURG (FR) 2013-10-23 EP disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 WO disclosed
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed
US-4665073-A HISTAMINE H2-ANTAGONISTS ICI AMERICAS INC. (GB) 1987-05-12 US disclosed
EP-0060094-B1 GUANIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-22 EP disclosed
EP-0060094-A2 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP disclosed
US-3994976-A Substituted phenylthioamidines THE DOW CHEMICAL COMPANY (US) 1976-11-30 US disclosed
US-3933912-A Substituted phenylthioamidines THE DOW CHEMICAL COMPANY (US) 1976-01-20 US 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-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TPMT, DHFR, DPYD FFAR1 2056/4885MAPK1 3119/4885ALDH1A1 162/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD FFAR1 2056/4885MAPK1 3119/4885ALDH1A1 162/4885

“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.