SCHEMBL5542232

SCHEMBL5542232

CCc1cccc2c1CCN2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
BRD4 O60885 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL9911202 0.89 GRIA1 (0.41) BRD4TAAR1GABRA1GABRB2
SCHEMBL18791124 0.85 HTR2B (0.42) NOTUMBRD4
SCHEMBL10201715 0.84 PARP1 (0.41) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL27395354 0.81 BRD4 (0.42) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL28756668 0.81 LIPG (0.40) NOTUM
SCHEMBL13548839 0.81 ADRA1A (0.45) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL29974199 0.81 NOTUM (0.40) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL3884626 0.81 NOTUM (0.40) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL5535553 0.81 NOTUM (0.40) NOTUMBRD4PARP1PARP10PARP11
SCHEMBL22175660 0.81 NOTUM (0.40) NOTUMBRD4PARP1PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 US disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 US disclosed
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-11066414-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-07-20 US disclosed
WO-2021105960-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-06-03 WO disclosed
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 US disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (12 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885BRD4 1012/4885TAAR1 364/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR NOTUM 4350/4885BRD4 503/4885TAAR1 2844/4885
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885BRD4 461/4885TAAR1 3094/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NOTUM 4350/4885BRD4 503/4885TAAR1 2844/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 NOTUM 2371/4885BRD4 38/4885TAAR1 1441/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR NOTUM 4350/4885BRD4 503/4885TAAR1 2844/4885
US-11066414-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS NOTUM 2183/4885BRD4 461/4885TAAR1 3094/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 NOTUM 4720/4885BRD4 925/4885TAAR1 784/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NOTUM 4350/4885BRD4 503/4885TAAR1 2844/4885
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885BRD4 461/4885TAAR1 3094/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM NOTUM 4624/4885BRD4 1996/4885TAAR1 3501/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP NOTUM 3896/4885BRD4 379/4885TAAR1 3923/4885

“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.