SCHEMBL2737951

SCHEMBL2737951

Clc1cc(N2CCOCC2)n2nc([C@@H]3CCCCN3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 2/20 0.33
CASP1 P29466 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL17823269 1.00 HSD17B10 (0.39) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL2738094 0.99 HSD17B10 (0.38) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL21279875 0.89 HSD17B10 (0.40) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL21279515 0.89 HSD17B10 (0.40) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL220141 0.86 HPGD (0.38) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL220142 0.86 HPGD (0.38) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL13896432 0.82 HSD17B10 (0.42) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL17827741 0.81 TSHR (0.42) HSD17B10KDM4EHPGDKMT2AALDH1A1
SCHEMBL2737938 0.81 PDE10A (0.36) KMT2ACYP1A2CYP2D6POLBCHRNB2
SCHEMBL17823295 0.81 PDE10A (0.36) KMT2ACYP1A2CYP2D6POLBCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 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 (8 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HSD17B10 3384/4885KDM4E 2069/4885HPGD 1755/4885
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HSD17B10 3384/4885KDM4E 2069/4885HPGD 1755/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HSD17B10 3384/4885KDM4E 2069/4885HPGD 1755/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HSD17B10 3384/4885KDM4E 2069/4885HPGD 1755/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HSD17B10 3384/4885KDM4E 2069/4885HPGD 1755/4885
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS HSD17B10 1128/4885KDM4E 3612/4885HPGD 2066/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS HSD17B10 1128/4885KDM4E 3612/4885HPGD 2066/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS HSD17B10 1128/4885KDM4E 3612/4885HPGD 2066/4885

“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.