SCHEMBL4697489

SCHEMBL4697489

Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
PTGS1 P23219 4/20 0.64
KCNK3 O14649 2/20 0.60
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LCK P06239 1/20 0.58
RXFP1 Q9HBX9 4/20 0.58
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
KCNK9 Q9NPC2 1/20 0.56
JAK2 O60674 1/20 0.56
CSF1R P07333 1/20 0.56
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL2492831 0.90 PTGS1 (0.70) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL16059356 0.87 HDAC8 (0.64) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL17103527 0.86 MAPT (0.70) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL4437537 0.85 MAPT (0.68) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL2313285 0.85 MAPT (0.68) MAPTPTGS1KCNK3MEN1KMT2A
SCHEMBL31650037 0.84 KDR (0.66) MAPTPTGS1LMNAMEN1KMT2A
SCHEMBL24141032 0.83 MAPT (0.84) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL13202441 0.83 MAPT (0.70) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL13549872 0.83 MAPT (0.70) MAPTPTGS1KCNK3P2RX1LMNA
SCHEMBL5002647 0.83 LCK (0.67) MAPTPTGS1KCNK3P2RX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
WO-2010026262-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 MAPT 2142/4885PTGS1 1316/4885KCNK3 1207/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MAPT 3272/4885PTGS1 1088/4885KCNK3 3551/4885

“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.