SCHEMBL6662711

SCHEMBL6662711

Cc1cc(C(C)C)nc(C(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.70
NOS3 P29474 6/20 0.70
NOS1 P29475 5/20 0.70
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL4547885 0.87 NOS2 (0.61) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL16282388 0.83 NOS3 (0.57) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL9228677 0.83 NOS2 (0.57) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL15980614 0.83 NOS3 (0.57) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL7050708 0.83 NOS2 (1.00) NOS2NOS3NOS1
SCHEMBL18611537 0.83 NOS3 (0.57) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL12093720 0.79 NOS3 (0.53) NOS2NOS3NOS1CYP1A2ALDH1A1
SCHEMBL12460586 0.79 NOS3 (0.53) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL23443723 0.78 NOS2 (0.52) NOS2NOS3NOS1TSHRCYP3A4
SCHEMBL21212137 0.78 CYP3A4 (0.58) NOS2NOS3NOS1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029347-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-26 US disclosed
US-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VIOGEN BIOSCIENCES, LLC 2022-06-02 US disclosed
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-04-06 US disclosed
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-05-23 US disclosed
US-20190076436-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-03-14 US disclosed
US-9315593-B2 Catalyst systems comprising pyridyldiamido transition metal complexes and chain transfer agent and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-19 US disclosed
US-9290519-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-03-22 US disclosed
US-9260552-B2 Process to produce polymers from pyridyldiamido transition metal complexes and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-02-16 US disclosed
US-20150141590-A1 Process to Produce Polymers from Pyridyldiamido Transition Metal Complexes and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 US disclosed
US-20150141601-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 US disclosed
US-20110098241-A1 RAPAMYCIN ANALOGS AS ANTI-CANCER AGENTS PONIARD PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20110098241-A1 RAPAMYCIN ANALOGS AS ANTI-CANCER AGENTS PONIARD PHARMACEUTICALS, INC. 2011-04-28 US disclosed
EP-1445260-A1 Method of immobilising of chemical compounds to solid phases Jerini AG (DE) 2004-08-11 EP disclosed
US-5864022-A Process for the manufacture of 3-amino-substituted glycosylated bile acids INTERCARDIA, INC. (US) 1999-01-26 US disclosed
EP-0766690-A4 PROCESS FOR THE MANUFACTURE OF 3-AMINO-SUBSTITUTED GLYCOSYLATED BILE ACIDS TRANSCELL TECHNOLOGIES INC (US) 1998-12-30 EP disclosed
US-5693770-A Process for the manufacture of 3-amino-substituted glycosylated bile acids TRANSCELL TECHNOLOGIES, INC. (US) 1997-12-02 US disclosed
US-5627270-A Glycosylated steroid derivatives for transport across biological membranes and process for making and using same TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-05-06 US disclosed
EP-0766690-A1 PROCESS FOR THE MANUFACTURE OF 3-AMINO-SUBSTITUTED GLYCOSYLATED BILE ACIDS TRANSCELL TECHNOLOGIES, INC. (US) 1997-04-09 EP disclosed
US-5585470-A Process for the manufacture of 3-amino-substituted glycosylated bile acids TRANSCELL TECHNOLOGIES, INC. (US) 1996-12-17 US disclosed
WO-1996000230-A1 PROCESS FOR THE MANUFACTURE OF 3-AMINO-SUBSTITUTED GLYCOSYLATED BILE ACIDS TRANSCELL TECHNOLOGIES, INC. (US) 1996-01-04 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 (7 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-20110098241-A1 RAPAMYCIN ANALOGS AS ANTI-CANCER AGENTS RICTOR, MTOR, RPTOR NOS2 4656/4885NOS3 4599/4885NOS1 4575/4885
US-20230029347-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP NOS2 1198/4885NOS3 2104/4885NOS1 722/4885
US-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF IL15, IL17A, IL2 NOS2 1238/4885NOS3 1496/4885NOS1 2475/4885
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ROS1, MAP3K1, MAP3K19 NOS2 2304/4885NOS3 1830/4885NOS1 1305/4885
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ROS1, MAP3K1, MAP3K19 NOS2 2304/4885NOS3 1830/4885NOS1 1305/4885
US-20190076436-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ROS1, MAP3K1, MAP3K19 NOS2 2304/4885NOS3 1830/4885NOS1 1305/4885
US-20150141601-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof PNPO, PLPBP, PDXK NOS2 944/4885NOS3 1101/4885NOS1 1744/4885

“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.