SCHEMBL7090852

SCHEMBL7090852

O=C(O)c1cccnc1-n1cccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.57
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CAPN1 P07384 1/20 0.51
LMNA P02545 2/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NAPRT Q6XQN6 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HCRTR2 O43614 9/20 0.48
HCRTR1 O43613 8/20 0.48

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
SCHEMBL29551359 1.00 MYC (0.57) MYCKDM4ETDP1CAPN1LMNA
SCHEMBL5663804 0.87 CAPN1 (0.55) MYCKDM4ETDP1CAPN1LMNA
SCHEMBL16544035 0.87 HCRTR2 (0.49) MYCKDM4ETDP1CAPN1LMNA
SCHEMBL29551168 0.87 CAPN1 (0.55) MYCKDM4ETDP1CAPN1LMNA
SCHEMBL14232737 0.83 HCRTR2 (0.52) MYCCAPN1LMNAKMT2AHCRTR2
SCHEMBL19564476 0.83 CAPN1 (0.49) MYCCAPN1LMNAKMT2AHCRTR2
SCHEMBL17793767 0.80 MYC (0.54) MYCKDM4ETDP1LMNAKMT2A
SCHEMBL29551344 0.79 HCRTR2 (0.46) MYCCAPN1LMNAHCRTR2HCRTR1
SCHEMBL17793835 0.79 HCRTR1 (0.52) KDM4ECAPN1ALDH1A1TSHRL3MBTL1
SCHEMBL29551266 0.79 HCRTR1 (0.52) KDM4ECAPN1ALDH1A1TSHRL3MBTL1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555556-B Process for preparing CFTR modulators 弗特克斯药品有限公司 2024-03-29 CN disclosed
US-10435398-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-10-08 US disclosed
US-10435398-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-10-08 US disclosed
US-10239838-B2 Heteroaryl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-10239838-B2 Heteroaryl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-12-27 US disclosed
US-10150751-B2 Pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-12-11 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-9987255-B2 5,5-bicyclic oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
WO-2016100156-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016089721-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089721-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016086357-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016088813-A1 NOVEL DIAZABICYCLO[2.2.2]OCTANE DERIVATIVE 持田製薬株式会社 2016-06-09 WO disclosed
WO-2016084866-A1 NOVEL DIAZABICYCLO DERIVATIVE 持田製薬株式会社 2016-06-02 WO disclosed
WO-2016065583-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016069515-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 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 (5 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-20180370973-A1 FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MYC 4321/4885KDM4E 2571/4885TDP1 4734/4885
US-10150751-B2 Pyrrolidine orexin receptor antagonists HCRTR2, HCRTR1, OXTR MYC 4811/4885KDM4E 1612/4885TDP1 4130/4885
US-10435398-B2 Oxazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR MYC 4850/4885KDM4E 2264/4885TDP1 4549/4885
US-10239838-B2 Heteroaryl orexin receptor antagonists HCRTR2, HCRTR1, OXTR MYC 4428/4885KDM4E 2387/4885TDP1 4648/4885
US-10011595-B2 Ethyldiamine orexin receptor antagonists HCRTR2, HCRTR1, OXTR MYC 4164/4885KDM4E 1681/4885TDP1 3747/4885

“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.