SCHEMBL1661550

SCHEMBL1661550

CCc1ccn2c(=O)c(C)c(-c3ccccc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.51
▸ AKT2 P31751 3/20 0.51
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ HTR6 P50406 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CGAS Q8N884 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 2/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKLR P30613 1/20 0.39
▸ ADORA3 P0DMS8 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
SCHEMBL1659968 0.81 CGAS (0.47) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL1659996 0.81 RAB9A (0.49) AKT1AKT2RAB9ANPC1SMN1; SMN2
SCHEMBL1660696 0.79 AKT1 (0.51) AKT1AKT2RAB9ANPC1CGAS
SCHEMBL20579811 0.78 NPC1 (0.80) AKT1AKT2RAB9ANPC1SMN1; SMN2
SCHEMBL1660716 0.76 NPC1 (0.50) AKT1AKT2RAB9ANPC1HTR6
SCHEMBL1660006 0.72 ADORA3 (0.49) AKT1AKT2RAB9ANPC1ADORA3
SCHEMBL20579964 0.71 NPC1 (0.63) AKT1AKT2RAB9ANPC1HTR6
SCHEMBL32688225 0.71 HPGD (0.55) AKT1AKT2RAB9ANPC1NR1H4
SCHEMBL13325767 0.70 AKT2 (0.61) AKT1AKT2RAB9ANPC1SMN1; SMN2
SCHEMBL8912069 0.70 RAB9A (0.76) AKT1AKT2RAB9ANPC1SMN1; SMN2

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 AKT1 2335/4885AKT2 2546/4885RAB9A 1490/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG AKT1 2335/4885AKT2 2546/4885RAB9A 1490/4885

“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.

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