SCHEMBL1658718

SCHEMBL1658718

COc1ccn2c(=O)cc(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM5B Q9UGL1 1/20 0.45
ALDH1A3 P47895 2/20 0.45
ADORA3 P0DMS8 4/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
PFKFB3 Q16875 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
F2RL3 Q96RI0 1/20 0.40
GRM5 P41594 2/20 0.40
PSD A5PKW4 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL21902775 0.90 MEN1 (0.55) MEN1KMT2AALDH1A3ADORA3PDGFRB
SCHEMBL16375038 0.86 KDM4E (0.49) MEN1KMT2AALDH1A3ADORA3PFKFB3
SCHEMBL1660676 0.86 KDM4E (0.45) MEN1KMT2AKDM5BALDH1A3ADORA3
SCHEMBL1660020 0.86 MEN1 (0.56) MEN1KMT2AADORA3
SCHEMBL8102024 0.84 ALDH1A1 (0.55) MEN1KMT2AKDM5BPSD
SCHEMBL21902781 0.82 TP53 (0.50) MEN1KMT2AALDH1A3
SCHEMBL8105784 0.81 KDM4E (0.52) MEN1KMT2AALDH1A3ADORA3
SCHEMBL21902786 0.80 TP53 (0.47) MEN1KMT2AALDH1A3ADORA3
SCHEMBL1658662 0.80 RAD51 (0.49) MEN1KMT2AADORA3KDR
SCHEMBL8100175 0.79 GRM5 (0.55) MEN1KMT2AKDM5BADORA3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314588-B1 4H-Pyrido[1,2-a]pyrimidin-4-one derivatives as modulators of the estrogen-related receptors GUANGZHOU INST BIOMED & HEALTH (CN) 2014-11-05 EP claimed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
EP-2314588-B1 4H-Pyrido[1,2-a]pyrimidin-4-one derivatives as modulators of the estrogen-related receptors GUANGZHOU INST BIOMED & HEALTH (CN) 2014-11-05 EP disclosed
EP-2314588-B1 4H-Pyrido[1,2-a]pyrimidin-4-one derivatives as modulators of the estrogen-related receptors GUANGZHOU INST BIOMED & HEALTH (CN) 2014-11-05 EP disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
CN-101628913-B Compounds useful as estrogen-related receptor modulators and uses thereof GUANGZHOU INST BIOMED & HEALTH 2013-01-23 CN disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
EP-2314588-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2011-04-27 EP disclosed
EP-2314588-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2011-04-27 EP disclosed
CN-101628913-A Compounds useful as estrogen-related receptor modulators and uses thereof GUANGZHOU INST BIOMED & HEALTH 2010-01-20 CN 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-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG MEN1 3897/4885KMT2A 1660/4885KDM5B 1564/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG MEN1 3897/4885KMT2A 1660/4885KDM5B 1564/4885

“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.