SCHEMBL227216

SCHEMBL227216

O=CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 6/20 0.55
MAPT P10636 7/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGS1 P23219 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL20041016 0.85 RXFP1 (0.46) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL2095608 0.85 RXFP1 (0.46) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL27814930 0.81 MEN1 (0.52) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL2089838 0.81 ALDH1A1 (0.48) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL26422658 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL9870952 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2853327 0.81 KCNK3 (0.75) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL131766 0.79 MAPT (0.46) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL12129057 0.79 ALDH1A1 (0.67) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL10985842 0.78 MAPT (0.55) MEN1KMT2AALDH1A1MAPTRAB9A

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 EP claimed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US claimed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US claimed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP claimed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
EP-0066482-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-28 EP claimed
EP-0066483-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
EP-0066482-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP claimed
EP-0066483-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP claimed
US-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 US claimed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed

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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK MEN1 1920/4885KMT2A 439/4885RXFP1 2563/4885

“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.