SCHEMBL913823

SCHEMBL913823

COC(=O)[C@]1(NC(=O)c2ccc(-c3ccccc3C)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)CC[C@H](O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR7 P34969 1/20 0.33
PAICS P22234 3/20 0.33
SLC6A9 P48067 2/20 0.33
CTSA P10619 6/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL913824 1.00 ATM (0.34) ATMKDM4EMAPTMAPK1HTR7
SCHEMBL913821 1.00 ATM (0.34) ATMKDM4EMAPTMAPK1HTR7
Hydrochloric Acid SCHEMBL913474 0.99 ATM (0.33) ATMKDM4EMAPTMAPK1HTR7
Hydrochloric Acid SCHEMBL913470 0.99 ATM (0.33) ATMKDM4EMAPTMAPK1HTR7
Hydrochloric Acid SCHEMBL913472 0.99 ATM (0.33) ATMKDM4EMAPTMAPK1HTR7
SCHEMBL2486263 0.94 KDM4E (0.36) ATMKDM4EMAPTMAPK1HTR7
SCHEMBL2486264 0.94 KDM4E (0.36) ATMKDM4EMAPTMAPK1HTR7
SCHEMBL2486261 0.94 KDM4E (0.36) ATMKDM4EMAPTMAPK1HTR7
Hydrochloric Acid SCHEMBL544586 0.94 KDM4E (0.36) ATMKDM4EMAPTMAPK1HTR7
Hydrochloric Acid SCHEMBL544588 0.94 KDM4E (0.36) ATMKDM4EMAPTMAPK1HTR7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 US claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-8653276-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2014-02-18 US disclosed
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI (FR) 2013-09-26 US disclosed
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 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 (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-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 ATM 4740/4885KDM4E 3689/4885MAPT 3580/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 ATM 4740/4885KDM4E 3689/4885MAPT 3580/4885

“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.