SCHEMBL645286

SCHEMBL645286

Cc1ccc2cc[c]cc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.56
CYP2A6 P11509 5/20 0.56
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 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
SCHEMBL2701987 0.91 CYP1A2 (0.54) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL2701718 0.91 CYP1A2 (0.54) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL645484 0.91 CYP1A2 (0.59) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL18317243 0.81 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL18317357 0.79 CYP1A2 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL18317633 0.78 CYP1A2 (0.45) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL18317612 0.77 CYP1A2 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL11612286 0.76 CYP1A2 (0.32) CYP1A2CYP2A6
SCHEMBL559813 0.75
SCHEMBL70257 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778160-B1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT TOSOH CORP (JP) 2018-01-10 EP claimed
US-9252368-B2 Cyclic azine compound having nitrogen-containing condensed aromatic group, method for producing same, and organic electroluminescent device comprising same as constituent component TOSOH CORPORATION (JP) 2016-02-02 US claimed
US-20140330013-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2014-11-06 US claimed
EP-2778160-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2014-09-17 EP claimed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 US claimed
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP claimed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US claimed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US claimed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP claimed
US-4125619-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1978-11-14 US claimed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 US claimed
US-4096255-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-20 US claimed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4073914-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US claimed
US-4070457-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-24 US claimed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed

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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP1A2 1354/4885CYP2A6 1833/4885TDP1 4579/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 CYP1A2 459/4885CYP2A6 2133/4885TDP1 1863/4885

“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.