SCHEMBL2611029

SCHEMBL2611029

Cc1nc(N)ncc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.45
P2RX2 Q9UBL9 13/20 0.45
DHFR P00374 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL23094639 0.83 RXFP1 (0.38) P2RX3P2RX2DHFRRXFP1
SCHEMBL26578140 0.79 HSP90AA1 (0.36) DHFRRXFP1
SCHEMBL1319169 0.79 P2RX3 (0.54) P2RX3P2RX2DHFR
SCHEMBL30625076 0.79 P2RX3 (0.54) P2RX3P2RX2DHFR
SCHEMBL12316236 0.77 P2RX3 (0.47) P2RX3P2RX2DHFR
SCHEMBL2609311 0.76 P2RX3 (0.36) P2RX3P2RX2
SCHEMBL1427681 0.76 P2RX3 (0.44) P2RX3P2RX2DHFR
SCHEMBL12110246 0.76 DHFR (0.49) P2RX3P2RX2DHFR
SCHEMBL12110248 0.76 P2RX3 (0.44) P2RX3P2RX2DHFR
SCHEMBL2737354 0.74 APLNR (0.35)

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-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 WO disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
WO-2021055747-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. (US) 2021-03-25 WO disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE LOYOLA UNIVERSITY OF CHICAGO 2016-09-15 US disclosed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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 (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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R P2RX3 421/4885P2RX2 638/4885DHFR 1480/4885
US-12029791-B2 Therapeutic conjugates CD47, CD44, EPCAM P2RX3 4799/4885P2RX2 4758/4885DHFR 503/4885
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, TUBA1C, PPT1 P2RX3 3626/4885P2RX2 3229/4885DHFR 1773/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG P2RX3 116/4885P2RX2 156/4885DHFR 1071/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA P2RX3 2508/4885P2RX2 3234/4885DHFR 1019/4885
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA P2RX3 2532/4885P2RX2 3460/4885DHFR 2935/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS P2RX3 3791/4885P2RX2 3635/4885DHFR 1078/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 P2RX3 1164/4885P2RX2 1234/4885DHFR 1681/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS P2RX3 600/4885P2RX2 602/4885DHFR 2723/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA P2RX3 2532/4885P2RX2 3460/4885DHFR 2935/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 P2RX3 3930/4885P2RX2 4219/4885DHFR 2478/4885
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL P2RX3 1527/4885P2RX2 1712/4885DHFR 139/4885

“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.