SCHEMBL312164

SCHEMBL312164

C#CCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.63
PRKCI P41743 1/20 0.47
CYP19A1 P11511 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL311859 0.88
SCHEMBL9777196 0.80 TBXAS1 (0.85) TBXAS1PRKCICYP19A1CYP1A2CYP3A4
SCHEMBL937596 0.80 TBXAS1 (0.95) TBXAS1PRKCI
SCHEMBL7033762 0.80 TBXAS1 (0.63) TBXAS1PRKCICYP19A1CYP1A2CYP3A4
SCHEMBL5858630 0.80 TBXAS1 (0.63) TBXAS1PRKCICYP19A1
SCHEMBL6933055 0.80 TBXAS1 (0.63) TBXAS1PRKCI
Hydrochloric Acid SCHEMBL17746653 0.78 TBXAS1 (0.61) TBXAS1PRKCICYP19A1
SCHEMBL2535103 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL939851 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL10247600 0.78 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356192-A1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-11-10 US disclosed
US-11466028-B2 Fused 1,4-oxazepines as BET protein degraders THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-10-11 US disclosed
EP-3512855-B1 FUSED 1,4-OXAZEPINES AS BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-07-27 EP disclosed
CN-110062759-B Fused 1, 4-oxazepine as BET protein degrading agent 密执安大学评议会 2022-05-24 CN disclosed
US-20210284657-A1 FUSED 1,4-OXAZEPINES AS BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2021-09-16 US disclosed
EP-3858837-A1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS The Regents of The University of Michigan (US) 2021-08-04 EP disclosed
US-10975093-B2 Fused 1,4-diazepines as BET protein degraders THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-13 US disclosed
US-20210002289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION UNIV MICHIGAN REGENTS (US) 2021-01-07 US disclosed
EP-3512853-B1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed
US-10759808-B2 Monofunctional intermediates for ligand-dependent target protein degradation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-01 US disclosed
WO-2018052945-A1 FUSED 1,4-OXAZEPINES AS BET PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-22 WO disclosed
WO-2017176958-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-12 WO disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 EP disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO disclosed
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 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-10759808-B2 Monofunctional intermediates for ligand-dependent target protein degradation MDM2, CD74, TNFSF10 TBXAS1 3095/4885PRKCI 3162/4885CYP19A1 2369/4885
US-11466028-B2 Fused 1,4-oxazepines as BET protein degraders BRD4, BET1, BRD1 TBXAS1 2221/4885PRKCI 3389/4885CYP19A1 1360/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 TBXAS1 574/4885PRKCI 1361/4885CYP19A1 4543/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 TBXAS1 751/4885PRKCI 1236/4885CYP19A1 4557/4885
US-10975093-B2 Fused 1,4-diazepines as BET protein degraders BRD4, BRD1, BET1 TBXAS1 2180/4885PRKCI 3471/4885CYP19A1 2583/4885
US-20210002289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION MDM2, CD74, TNFSF10 TBXAS1 3095/4885PRKCI 3162/4885CYP19A1 2369/4885
US-20210284657-A1 FUSED 1,4-OXAZEPINES AS BET PROTEIN DEGRADERS BRD4, BET1, BRD1 TBXAS1 2221/4885PRKCI 3389/4885CYP19A1 1360/4885
US-20220356192-A1 FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS BRD4, BRD1, BET1 TBXAS1 2180/4885PRKCI 3471/4885CYP19A1 2583/4885

“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.