SCHEMBL290894

SCHEMBL290894

[CH2]Cc1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PDE10A Q9Y233 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FDPS P14324 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL7548524 0.81 KDM4E (0.37) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9971234 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL6597830 0.79 SORD (0.47) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL1514912 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL2263641 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL9934866 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL874900 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL29756554 0.79 KMT2A (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL30838793 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL27664513 0.79 MAPT (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102918044-A Fused quinazoline derivatives and uses thereof SHENZHEN SALUBRIS PHARM CO LTD 2013-02-06 CN claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
CN-102918044-A Fused quinazoline derivatives and uses thereof SHENZHEN SALUBRIS PHARM CO LTD 2013-02-06 CN disclosed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
EP-2321319-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase MIKAMIYAMA HIDENORI 2010-08-12 US disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-7745453-B2 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-06-29 US disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
US-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
CN-1366523-A Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2002-08-28 CN disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP disclosed
US-5409929-A Treating psychosis, dyskinesia THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-25 US disclosed
US-5216018-A Antidyskinetic agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-06-01 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 (2 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-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase HAT1, SULT1A1, CDK20 KDM4E 930/4885GPR3 2016/4885EGFR 1686/4885
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC KDM4E 2048/4885GPR3 2768/4885EGFR 669/4885

“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.