SCHEMBL795352

SCHEMBL795352

Cc1ccnc2c1CCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.44
UHRF1 Q96T88 1/20 0.43
PARP10 Q53GL7 6/20 0.42
PARP11 Q9NR21 6/20 0.42
PARP1 P09874 1/20 0.42
DRD1 P21728 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
KDR P35968 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33
MKNK1 Q9BUB5 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
SCHEMBL17041865 0.90 UHRF1 (0.55) NNMTUHRF1PARP10PARP11PARP1
SCHEMBL24288319 0.76 NNMT (0.38) NNMTUHRF1PARP10PARP11PARP1
SCHEMBL10279840 0.75 NNMT (0.37) NNMTDRD1KDR
SCHEMBL10150102 0.75 NOTUM (0.47) NNMTPARP10PARP11DRD1HTR2A
SCHEMBL580706 0.75 NNMT (0.37) NNMTDRD1
SCHEMBL13138806 0.75 PARP1 (0.42) NNMTPARP1DRD1NOS3NOS2
SCHEMBL13991574 0.75 PARP10 (0.42) NNMTPARP10PARP11DRD1HTR2A
SCHEMBL18879067 0.75 ROCK2 (0.38) NNMTPARP10PARP11DRD1HTR2A
SCHEMBL21323893 0.75 HTR2A (0.43) NNMTPARP10PARP11DRD1HTR2A
SCHEMBL22685856 0.75 NNMT (0.41) NNMTPARP10PARP11DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129513-A2 BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 WO disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
EP-3463343-B1 HETEROCYCLIC INHIBITORS OF PTPN11 UNIV TEXAS (US) 2022-03-23 EP disclosed
WO-2021239743-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed
EP-3763712-B1 INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2021-11-24 EP disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
EP-3763712-A1 INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2021-01-13 EP disclosed
WO-2019170063-A1 INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF 上海海和药物研究开发有限公司 2019-09-12 WO disclosed
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 US disclosed
EP-1590328-B1 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2012-02-22 EP disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
WO-2009152340-A2 2,3-SUBSTITUTED THIOPHENES IN LUNG INFLAMMATION THERAPIES OSI PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 (5 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-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA NNMT 614/4885UHRF1 3766/4885PARP10 2009/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS NNMT 62/4885UHRF1 3965/4885PARP10 2682/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 NNMT 713/4885UHRF1 3405/4885PARP10 688/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 NNMT 1581/4885UHRF1 1787/4885PARP10 756/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 NNMT 98/4885UHRF1 108/4885PARP10 135/4885

“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.