SCHEMBL4338450

SCHEMBL4338450

C#Cc1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ASIC3 Q9UHC3 1/20 0.42
NOS1 P29475 6/20 0.40
NOS2 P35228 6/20 0.40
PRMT6 Q96LA8 1/20 0.40
PTPN1 P18031 1/20 0.40
NOS3 P29474 4/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 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
SCHEMBL30045190 1.00 PNMT (0.48) PNMTENPP2LOXL2CA12CA1
Hydrochloric Acid SCHEMBL25370258 0.98 HTR2C (0.47) PNMTENPP2LOXL2CA12CA1
Hydrochloric Acid SCHEMBL30580209 0.98 HTR2C (0.47) PNMTENPP2LOXL2CA12CA1
SCHEMBL12908118 0.84 MAOB (0.43) PNMTENPP2LOXL2CA12CA1
SCHEMBL29829192 0.83 TAAR1 (0.52) PNMTLOXL2CA12CA1CA2
Hydrochloric Acid SCHEMBL921005 0.82 MAOB (0.44) PNMTENPP2LOXL2HTR2CHTR2B
SCHEMBL3838668 0.82 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL28241408 0.82 ASIC3 (0.58) PNMTENPP2LOXL2ASIC3NOS1
SCHEMBL580840 0.78 LOXL2 (0.61) PNMTENPP2LOXL2ALDH1A1
SCHEMBL2838377 0.78 PNMT (0.48) PNMTENPP2LOXL2ASIC3NOS1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 US disclosed
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
CN-106008475-B Coumarin NEDD8 activating enzyme inhibitor 南京工业大学 2019-01-22 CN disclosed
CN-106008475-A Coumarin NEDD8 activating enzyme inhibitor 南京工业大学 2016-10-12 CN disclosed
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
CN-101535279-B Quinazoline based egfr inhibitors containing a zinc binding moiety CURIS INC 2015-05-20 CN disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-07 US disclosed
US-8604044-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-12-10 US disclosed
CN-101641338-A Multifunctional small molecules as antiproliferative agents CURIS INC US 2010-02-03 CN disclosed
CN-101535279-A Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS INC (US) 2009-09-16 CN disclosed
EP-2061773-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 EP disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent CURIS, INC. 2008-08-14 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033749-A2 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 PNMT 3376/4885ENPP2 2421/4885LOXL2 3468/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 PNMT 3802/4885ENPP2 3479/4885LOXL2 2940/4885
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent HDAC1, HDAC8, EGFR PNMT 1054/4885ENPP2 2509/4885LOXL2 2403/4885
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR PNMT 2979/4885ENPP2 2140/4885LOXL2 4085/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 PNMT 3814/4885ENPP2 3520/4885LOXL2 2907/4885

“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.