SCHEMBL140276

SCHEMBL140276

CC(=O)Nc1nc(Cl)cc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
ADORA3 P0DMS8 3/20 0.50
ADORA1 P30542 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
S1PR2 O95136 1/20 0.47
NUDT1 P36639 1/20 0.43
KMT2A Q03164 2/20 0.43
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTK2 Q05397 1/20 0.40

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
SCHEMBL18340747 0.80 S1PR2 (0.48) CYP1A2ADORA3ADORA1CYP2C19S1PR2
SCHEMBL14221332 0.78 S1PR2 (0.69) POLBL3MBTL1S1PR2KMT2AALDH1A1
SCHEMBL3299561 0.78 POLB (0.62) CYP1A2ADORA3ADORA1CYP2C9CYP2C19
SCHEMBL757416 0.76 AURKA (0.47) CYP1A2ADORA3ADORA1POLBL3MBTL1
SCHEMBL11463095 0.76 CYP1A2 (0.70) CYP1A2ADORA3ADORA1CYP2C9CYP2C19
SCHEMBL9505994 0.76 CYP1A2 (0.57) CYP1A2ADORA3ADORA1CYP2C9CYP2C19
SCHEMBL4552543 0.76 L3MBTL1 (0.59) CYP1A2ADORA3ADORA1CYP2C9CYP2C19
SCHEMBL20087958 0.75 ATR (0.44) S1PR2KMT2ARAB9A
SCHEMBL11176651 0.74 CYP1A2 (0.55) CYP1A2ADORA3ADORA1CYP2C9CYP2C19
SCHEMBL11561386 0.74 L3MBTL1 (0.51) CYP1A2ADORA3ADORA1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100424083-C Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2008-10-08 CN claimed
CN-1935805-A Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2007-03-28 CN claimed
US-3991190-A Treatment of viral infections ISTITUTO CHEMIOTERAPICO ITALIANO S.P.A. (IT) 1976-11-09 US claimed
EP-2981533-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2017-12-06 EP disclosed
EP-2981533-A1 PROTEIN KINASE INHIBITORS Orion Corporation (FI) 2016-02-10 EP disclosed
US-20160031855-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2016-02-04 US disclosed
US-20150218130-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC 2015-08-06 US disclosed
WO-2014162039-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2014-10-09 WO disclosed
US-20140194405-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-07-10 US disclosed
EP-2563362-B1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES DECIPHERA PHARMACEUTICALS LLC (US) 2014-03-12 EP disclosed
US-8637672-B2 Cyclopropyl dicarboxamides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-01-28 US disclosed
EP-2563362-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES Deciphera Pharmaceuticals, LLC (US) 2013-03-06 EP disclosed
US-20120322834-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-12-20 US disclosed
US-20120252849-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHAMACEUTICALS, LLC (US) 2012-10-04 US disclosed
US-20120058985-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-08 US disclosed
WO-2011137342-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES DECIPHERA PHARMACEUTICALS, LLC (US) 2011-11-03 WO disclosed
CN-100424083-C Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2008-10-08 CN disclosed
CN-1935805-A Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2007-03-28 CN disclosed
US-3991190-A Treatment of viral infections ISTITUTO CHEMIOTERAPICO ITALIANO S.P.A. (IT) 1976-11-09 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 (6 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-20140194405-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 3596/4885ADORA3 4119/4885ADORA1 4233/4885
US-20120252849-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 3596/4885ADORA3 4119/4885ADORA1 4233/4885
US-20160031855-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR2, FGFR3 CYP1A2 3069/4885ADORA3 2923/4885ADORA1 1662/4885
US-20120322834-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 3596/4885ADORA3 4119/4885ADORA1 4233/4885
US-20120058985-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 3596/4885ADORA3 4119/4885ADORA1 4233/4885
US-20150218130-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 3596/4885ADORA3 4119/4885ADORA1 4233/4885

“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.