SCHEMBL523960

SCHEMBL523960

O=C(CC1CN(C(=O)O)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.88

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
SCHEMBL5194847 0.93 NOS2 (1.00) NOS2
SCHEMBL29384919 0.92 NOS2 (1.00) NOS2
SCHEMBL5191335 0.92 NOS2 (0.84) NOS2
SCHEMBL231748 0.92 NOS2 (1.00) NOS2
SCHEMBL5190049 0.92 NOS2 (0.87) NOS2
SCHEMBL5195067 0.91 NOS2 (0.88) NOS2
SCHEMBL5192916 0.90 NOS2 (0.86) NOS2
SCHEMBL5189714 0.90 NOS2 (0.86) NOS2
SCHEMBL5191362 0.90 NOS2 (1.00) NOS2
SCHEMBL27413895 0.90 NOS2 (0.92) NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119766-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
EP-3347353-A1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2018-07-18 EP disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 US disclosed
US-9914735-B2 Heteroaryl Syk inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-13 US disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 US disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 WO disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
WO-2013014060-A1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 WO disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES RENOPHARM LTD. (IL) 2005-11-10 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 NOS2 2642/4885
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 NOS2 2532/4885
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments HRH4, HRH3, HRH1 NOS2 2094/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 NOS2 729/4885
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 NOS2 2305/4885
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 NOS2 429/4885
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 NOS2 480/4885

“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.