SCHEMBL1660716

SCHEMBL1660716

CCc1ccn2c(=O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 4/20 0.50
PKM P14618 1/20 0.50
KLF5 Q13887 1/20 0.50
RAB9A P51151 3/20 0.47
RAD51 Q06609 2/20 0.47
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
HTR6 P50406 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL1661610 0.81 KDM4E (0.62) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL1659988 0.80 ADORA2A (0.46) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL1659969 0.78 NPC1 (0.47) NPC1KDM4ERAB9ARAD51AKT1
SCHEMBL1658724 0.78 RAB9A (0.47) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL18015437 0.78 RAB9A (0.51) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL1659904 0.78 KDM4E (0.47) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL1660020 0.78 MEN1 (0.56) NPC1KDM4ERAB9ARAD51AKT1
SCHEMBL1659994 0.77 KDM4E (0.52) NPC1KDM4ERAB9ARAD51SMN1; SMN2
SCHEMBL16215931 0.76 KDM4E (0.45) NPC1KDM4EPKMRAB9ARAD51
SCHEMBL18015554 0.76 RAB9A (0.45) NPC1KDM4EPKMRAB9ARAD51

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-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-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 claimed
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 claimed
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 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 NPC1 1501/4885KDM4E 1123/4885PKM 1073/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG NPC1 1501/4885KDM4E 1123/4885PKM 1073/4885

“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.