SCHEMBL503164

SCHEMBL503164

CCc1ncnc(Cl)c1I

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
POLB P06746 1/20 0.34
OPRK1 P41145 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ENPP1 P22413 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23205897 0.84
SCHEMBL856427 0.80 ALDH1A1 (0.39) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL3641399 0.77 SELE (0.40) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL856076 0.76 SELE (0.39) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL503147 0.76
SCHEMBL26757905 0.76
SCHEMBL1350019 0.75
SCHEMBL7766739 0.74 SELE (0.38) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL372414 0.74 SELE (0.38) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL13064098 0.74 SELE (0.35) SELEVCAM1POLBOPRK1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11292853-A None JP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-1074546-B1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2006-09-06 EP disclosed
US-6521627-B1 Insecticidal, acaricidal, nematocidal and fungicidal activities UBE INDUSTRIES, LTD. (JP) 2003-02-18 US disclosed
EP-1074546-A1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES Ube Industries, Ltd. (JP) 2001-02-07 EP disclosed
JP-H11292853-A 4-CHLORO-5-IODO-6-(ALPHA-SUBSTITUTED ETHYL)PYRIMIDINE AND ITS PRODUCTION UBE IND LTD 1999-10-26 JP disclosed
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed
CN-1179773-A Cyclohexylamino and cyclohexylalkoxy nitrogen heterocycles, methods of preparing them and their use as pest-control agents and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-04-22 CN disclosed
US-5468751-A Aminopyrimidine derivatives as microbicides, insecticides and acaricides CIBA-GEIGY CORPORATION (US) 1995-11-21 US disclosed
WO-1993022291-A1 ARTHROPODICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 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-20160199383-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 SELE 3167/4885VCAM1 2202/4885POLB 311/4885

“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.