SCHEMBL2631905

SCHEMBL2631905

O=c1nc[nH]c2ccc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PARP1 P09874 4/20 0.35
AURKA O14965 2/20 0.35
DAPK3 O43293 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
RET P07949 2/20 0.35
IGF1R P08069 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PRKX P51817 2/20 0.35
BTK Q06187 2/20 0.35
TYRO3 Q06418 2/20 0.35

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
SCHEMBL29465797 1.00 PIM1 (0.38) PIM1PIM2LMNAMEN1POLB
SCHEMBL19153212 0.78 CCR1 (0.40) LMNAMEN1POLBKMT2APARP1
SCHEMBL19130906 0.74 PDE2A (0.36) LMNAMEN1POLBKMT2AKDM4E
SCHEMBL325051 0.73 PSMD14 (0.47) LMNAKDM4EPARP1DPP4
SCHEMBL29804853 0.72 KDM4E (0.53) LMNAKDM4EMAPK14SIRT2DPP4
SCHEMBL2105191 0.72 KDM4E (0.53) LMNAKDM4EMAPK14SIRT2DPP4
SCHEMBL31114004 0.72 ALDH1A1 (0.43) KMT2AKDM4EDYRK1ACDK9CDK5
SCHEMBL669572 0.70 PARP1 (0.50) PIM1PIM2KDM4EPARP1AURKA
SCHEMBL1477486 0.70 ALDH1A1 (0.41) PIM1PIM2LMNAPARP1SIRT2
SCHEMBL29434701 0.70 PARP1 (0.50) PIM1PIM2KDM4EPARP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026083-B Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2024-07-09 CN disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
CN-114026083-A Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2022-02-08 CN disclosed
CN-110903286-B 4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2021-09-24 CN disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
WO-2020219904-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
CN-110903286-A 4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2020-03-24 CN disclosed
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-7799772-B2 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-21 US disclosed
EP-2217590-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20100204222-A1 PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS GlaxoSmithKline, LLC 2010-08-12 US disclosed
US-20100173913-A1 PYRIDO-AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-08 US disclosed
WO-2009039140-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed
US-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN-CILAG (FR) 2007-04-05 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-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer NR1H3, NR1H2, ERBB2 PIM1 3269/4885PIM2 2946/4885LMNA 3347/4885
US-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PIM1 1699/4885PIM2 2808/4885LMNA 1174/4885
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA PIM1 775/4885PIM2 1107/4885LMNA 3777/4885
US-20100204222-A1 PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS PI4KA, PIK3CA, PFKP PIM1 612/4885PIM2 742/4885LMNA 4648/4885
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR PIM1 511/4885PIM2 442/4885LMNA 4291/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR PIM1 511/4885PIM2 442/4885LMNA 4291/4885
US-20100173913-A1 PYRIDO-AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS CYP2J2, NR4A1, ALOX15 PIM1 4457/4885PIM2 4242/4885LMNA 3006/4885

“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.