SCHEMBL7569157

SCHEMBL7569157

COc1nc(N)nc(C(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9186220 0.81 HRH4 (0.41) TP53POLBGAATSHRHTT
SCHEMBL1576395 0.77 TSHR (0.44) TP53POLBGAATSHRHTT
SCHEMBL138352 0.77 HSD17B10 (0.44) TP53POLBGAATSHRHTT
SCHEMBL11012451 0.75 TP53 (0.36) TP53POLBGAATSHRHTT
SCHEMBL11102236 0.73 CDK1 (0.33) TP53POLBGAATSHRHTT
SCHEMBL10648657 0.72 TP53 (0.34) TP53POLBGAATSHRHTT
SCHEMBL441545 0.69 HSP90AB1 (0.43) TP53POLBGAATSHRHTT
SCHEMBL30562916 0.69 HSP90AB1 (0.43) TP53POLBGAATSHRHTT
SCHEMBL22556877 0.67 ALDH1A1 (0.32) TSHR
Fluoride SCHEMBL31379739 0.67 HSP90AB1 (0.41) TP53POLBGAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413911-B1 REACTING A SULFONYL ISOCYANATE WITH A 2-AMINO-1,3,5-TRIAZINE OR 2-AMINOPYRIMIDINE, OR REACTING A SULFONAMIDE WITH A PHENYL CARBAMATE OR ISOCYANATE OF -1,3,5-TRIAZINE OR PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-20020049321-A1 Herbicidal sulfonylureas, their preparation and use MAYER HORST (DE) 2002-04-25 US disclosed
US-6320046-B1 A 2-AMINO-1,3,5-TRIAZINE AS CHEMICAL INTERMEDIATE; HIGH SELECTIVITY IN SENSITIVE CROPS BASF AKTIENGESELLSCHAFT (DE) 2001-11-20 US disclosed
US-6043196-A Herbicidal sulfonylureas, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
US-5739328-A Preparation of asymmetrically substituted triazines BASF AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0724575-B1 METHOD OF PREPARING UNSYMMETRICALLY SUBSTITUED TRIAZINES BASF AG (DE) 1997-09-17 EP disclosed
EP-0668858-B1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AG (DE) 1997-01-08 EP disclosed
EP-0724575-A1 METHOD OF PREPARING UNSYMMETRICALLY SUBSTITUED TRIAZINES BASF AG (DE) 1996-08-07 EP disclosed
EP-0668858-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE. BASF AG (DE) 1995-08-30 EP disclosed
WO-1995011237-A1 METHOD OF PREPARING UNSYMMETRICALLY SUBSTITUED TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 1995-04-27 WO disclosed
WO-1994011358-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 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-20020049321-A1 Herbicidal sulfonylureas, their preparation and use SLC5A1, DDT, SLC5A2 TP53 3736/4885POLB 4220/4885GAA 2572/4885

“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.