SCHEMBL549073

SCHEMBL549073

CCC1Cc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.59
BRD4 O60885 3/20 0.59
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MTNR1A P48039 3/20 0.44
PNMT P11086 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
AR P10275 1/20 0.39

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
SCHEMBL22955423 1.00 CREBBP (0.59) CREBBPBRD4GAAMAPTMTNR1A
Naphthalene SCHEMBL7012339 0.94 CREBBP (0.54) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL550098 0.85 CREBBP (0.44) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL28923868 0.82 ALDH1A1 (0.43) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL11426860 0.82 GAA (0.47) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL22262591 0.81 MTNR1A (0.60) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL29659944 0.81 MTNR1A (0.60) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL20870486 0.81 MTNR1A (0.60) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL4139663 0.81 MTNR1A (0.60) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL29659962 0.81 MTNR1A (0.60) CREBBPBRD4GAAMAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
CN-110437123-B Method for synthesizing optically pure 2-substituted indoline compound through dynamic kinetic resolution 华中师范大学 2023-01-03 CN disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 WO disclosed
US-10399980-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2018-07-24 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
EP-1757584-A1 Heterocyclic substituted amides, their production and their use Abbott GmbH & Co. KG (DE) 2007-02-28 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 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 (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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CREBBP 2082/4885BRD4 1294/4885GAA 852/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 CREBBP 2276/4885BRD4 2440/4885GAA 1053/4885
US-10399980-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CREBBP 1887/4885BRD4 528/4885GAA 1605/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CREBBP 2046/4885BRD4 4039/4885GAA 4235/4885
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NR0B1, NR2E1, NR0B2 CREBBP 295/4885BRD4 850/4885GAA 1099/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA CREBBP 4327/4885BRD4 3068/4885GAA 3/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C CREBBP 963/4885BRD4 2304/4885GAA 2152/4885

“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.