SCHEMBL5443752

SCHEMBL5443752

N#Cc1cc(NNC(=O)C(F)(F)F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
BLM P54132 1/20 0.40
WRN Q14191 1/20 0.40
AR P10275 1/20 0.40
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CNR2 P34972 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KCNH2 Q12809 1/20 0.35
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL12777490 0.85 GRM4 (0.56) GRM4BLMWRNARABCC9
SCHEMBL7477235 0.75 PDK1 (0.57) GRM4ALDH1A1
SCHEMBL4900667 0.73 GRM4 (0.59) GRM4BLMWRNARABCC9
SCHEMBL21919186 0.73 GRM4 (0.44) GRM4BLMWRNARABCG2
SCHEMBL7230707 0.73 GRM4 (0.44) GRM4BLMWRNARCNR2
SCHEMBL19190440 0.72 GRM4 (0.50) GRM4BLMWRNARCNR2
SCHEMBL3554749 0.72 ALDH1A1 (0.63) GRM4BLMWRNALDH1A1
SCHEMBL3957937 0.71 GRM4 (0.42) GRM4KCNH2ALDH1A1
SCHEMBL3173181 0.70 GRM4 (0.48) GRM4BLMWRNARABCG2
SCHEMBL3008351 0.70 GRM4 (0.56) GRM4BLMWRNARKCNH2

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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-7153960-B2 Synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
EP-1467984-A4 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES BRISTOL MYERS SQUIBB CO (US) 2005-12-07 EP disclosed
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones ZHOU JIACHENG 2005-11-03 US disclosed
US-6919451-B2 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1467984-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed
US-6465656-B2 ACYLATING/ACETYLATING ARYLHYDRAZINE, REACTING HYDROZONOYL HALIDE/SULFATE WITH AMINE BASE TO FORM 1-(3-CYANO)PHENYL-2-(TRIFLUOROACETYL)HYDRAZINE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-15 US disclosed
EP-1222172-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE Bristol-Myers Squibb Pharma Company (US) 2002-07-17 EP disclosed
US-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 US disclosed
US-6329527-B1 ACYLATING SUBSTITUTEDARYL HYDRAZINE, FORMING DIPOLAR COMPOUND, CONTACTING DIPOLAROPHILE AND SUBJECTING TO OXIDATION, REMOVING PROTECTING GROUP BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-11 US disclosed
WO-2001029006-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-26 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 (4 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 GRM4 3878/4885BLM 3122/4885WRN 2773/4885
US-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles TFPI, SERPINC1, F11 GRM4 4673/4885BLM 3082/4885WRN 3315/4885
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones TFPI, TFPI2, F2 GRM4 3423/4885BLM 4305/4885WRN 4081/4885
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones F2, TFPI, TFPI2 GRM4 3878/4885BLM 3122/4885WRN 2773/4885

“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.