SCHEMBL4825069

SCHEMBL4825069

Cc1ccc(-c2ncc(Cl)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4693817 0.83 KDM4E (0.48) CNR1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15051725 0.80 ALDH1A1 (0.42) CNR1ALDH1A1MAPTMAPK1HTT
SCHEMBL5211789 0.80 ADORA1 (0.42) CNR1SMN1; SMN2
SCHEMBL30708991 0.80 KDM4E (0.50) CNR1L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL5213125 0.79 CNR1 (0.51) CNR1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10509221 0.79 CNR1 (0.53) CNR1TDP1ALDH1A1MAPTMAPK1
SCHEMBL29470195 0.79 CKS1B (0.53) CNR1L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL383762 0.79 CKS1B (0.53) CNR1L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL1369349 0.78 MAPK14 (0.45) L3MBTL1ALDH1A1KDM4E
SCHEMBL15106352 0.76 CNR1 (0.50) CNR1TDP1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20050054659-A1 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-0088593-B1 1,2,4-TRIAZINE AND PYRAZINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-05-27 EP disclosed
US-4585861-A ACTIVATORS OF GAMMA-AMINOBUTYRIC ACID AND BENZODIAZEPINE BINDING ELI LILLY AND COMPANY (US) 1986-04-29 US disclosed
US-4513135-A GAMMA-AMINOBUTYRIC ACID BINDING AGTIVATORS ELI LILLY AND COMPANY (US) 1985-04-23 US disclosed
EP-0088593-A2 1,2,4-Triazine and pyrazine derivatives ELI LILLY AND COMPANY (US) 1983-09-14 EP 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-20050054659-A1 Pyrazine modulators of cannabinoid receptors CNR1, CNR2, GPR18 CNR1 1/4885L3MBTL1 4822/4885TDP1 4013/4885
US-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 CNR1 2/4885L3MBTL1 4881/4885TDP1 4708/4885

“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.