SCHEMBL14697140

SCHEMBL14697140

O=c1cnc2cccnc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NCOA1 Q15788 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
SGMS2 Q8NHU3 5/20 0.35
DAGLA Q9Y4D2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 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
SCHEMBL177463 1.00 KDM4E (0.41) KDM4EALDH1A1NCOA1CYP1A2CYP1B1
SCHEMBL276699 0.71 MAPT (0.46) KDM4EALDH1A1NCOA1CYP1A2NPC1
SCHEMBL29506237 0.71 MAPT (0.46) KDM4EALDH1A1NCOA1CYP1A2NPC1
SCHEMBL16806269 0.71 ALDH1A1 (0.33) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL29506236 0.71 MAPT (0.46) KDM4EALDH1A1NCOA1CYP1A2NPC1
SCHEMBL1404660 0.69 LMNA (0.47) KDM4EALDH1A1NCOA1CYP1A2TP53
SCHEMBL27333832 0.69 MAPT (0.44) KDM4EALDH1A1NCOA1CYP1A2NPC1
Hydrochloric Acid SCHEMBL22092050 0.69 MAPT (0.44) KDM4EALDH1A1NCOA1CYP1A2NPC1
SCHEMBL1810060 0.69
Hydrochloric Acid SCHEMBL15228365 0.68 LMNA (0.45) KDM4EALDH1A1NCOA1CYP1A2TP53

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
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP claimed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO claimed
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 US disclosed
US-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines GENENTECH, INC. (US) 2022-05-10 US disclosed
EP-3901145-A1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE SYNTHESIS OF IMAGING AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES GENENTECH, INC. (US) 2020-11-26 US disclosed
WO-2020227576-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-A]PYRIMIDINES GENENTECH, INC. (US) 2020-11-12 WO disclosed
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-09-24 US disclosed
US-10675367-B2 Deuterated compounds and uses thereof GENENTECH INC. (US) 2020-06-09 US disclosed
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-07-04 US disclosed
US-10076581-B2 Deuterated compounds and uses thereof GENENTECH, INC. (US) 2018-09-18 US disclosed
EP-3143011-A1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IMAGING AGENTS F. Hoffmann-La Roche AG (CH) 2017-03-22 EP disclosed
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015173225-A1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IMAGING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-19 WO disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
EP-2741609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS Salk Institute for Biological Studies (US) 2014-06-18 EP disclosed
WO-2013025484-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA LAPCHAK PAUL A (US) 2013-02-21 WO disclosed
WO-2013025498-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SCHUBERT DAVID R (US) 2013-02-21 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-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 KDM4E 2907/4885ALDH1A1 1363/4885NCOA1 1373/4885
US-10076581-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 KDM4E 2907/4885ALDH1A1 1363/4885NCOA1 1373/4885
US-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines CDK2, P2RY1, P2RX1 KDM4E 2940/4885ALDH1A1 1958/4885NCOA1 2448/4885
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES CDK2, P2RY1, P2RX1 KDM4E 2940/4885ALDH1A1 1958/4885NCOA1 2448/4885
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 KDM4E 2907/4885ALDH1A1 1363/4885NCOA1 1373/4885
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 KDM4E 2907/4885ALDH1A1 1363/4885NCOA1 1373/4885
US-10675367-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 KDM4E 2907/4885ALDH1A1 1363/4885NCOA1 1373/4885
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS SLC10A1, SLC9B2, RXFP1 KDM4E 2894/4885ALDH1A1 1909/4885NCOA1 773/4885

“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.