SCHEMBL503820

SCHEMBL503820

C#Cc1cnc2[nH]cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL5765255 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL29859759 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL503159 0.75 GABRA1 (0.31)
SCHEMBL6846640 0.72
SCHEMBL23731797 0.69 KDM4E (0.33) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL30770814 0.69 PRKCI (0.44) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL14858833 0.69 PARP1 (0.39) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL190623 0.69 DYRK1A (0.46) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL1104637 0.69 PARP1 (0.43) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL17597488 0.69 ALDH1A1 (0.43) KDM4EALDH1A1MAPTAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323992-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
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
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20160199383-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 EGLN1 2064/4885KDM4E 2063/4885ALDH1A1 46/4885
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA EGLN1 1300/4885KDM4E 1227/4885ALDH1A1 3632/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA EGLN1 1300/4885KDM4E 1227/4885ALDH1A1 3632/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 EGLN1 1371/4885KDM4E 494/4885ALDH1A1 169/4885

“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.