SCHEMBL50243

SCHEMBL50243

COc1ncccc1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.52
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ATR Q13535 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.44
NAMPT P43490 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
GFER P55789 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL1725253 0.86 ALDH1A1 (0.49) ALDH1A1GAAATRSMN1; SMN2MAPT
SCHEMBL8495853 0.82 CETP (0.47) TSHRALDH1A1ATRSMN1; SMN2SLC22A12
SCHEMBL12182365 0.82 BRD4 (0.50) TSHRALDH1A1GAAHPGDATR
SCHEMBL17963473 0.82 MAPT (0.44) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL17963475 0.82 MAPT (0.44) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL1723318 0.80 METAP1 (0.54) ALDH1A1ATRNAMPTSLC22A12
SCHEMBL29128697 0.80 GFER (0.45) MEN1KMT2AALDH1A1ATRSMN1; SMN2
SCHEMBL30283184 0.80 METAP1 (0.54) ALDH1A1ATRNAMPTSLC22A12
SCHEMBL17607162 0.80 ALDH1A1 (0.42) MEN1KMT2ATSHRALDH1A1ATR
SCHEMBL4451565 0.80 KDM4E (0.55) TSHRALDH1A1GAAHPGDSMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654853-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors MISSION THERAPEUTICS LIMITED (GB) 2020-05-19 US disclosed
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20190048008-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-02-14 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-9555044-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-01-31 US disclosed
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B MEN1 2238/4885KMT2A 2183/4885ATM 562/4885
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885ATM 4537/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885ATM 4537/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885ATM 4537/4885
US-10654853-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors OTUB1, UBE2E1, RCE1 MEN1 4242/4885KMT2A 1025/4885ATM 3302/4885
US-20190048008-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS OTUB1, UBE2E1, RCE1 MEN1 4242/4885KMT2A 1025/4885ATM 3302/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885ATM 4537/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885ATM 4537/4885

“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.