SCHEMBL2735127

SCHEMBL2735127

COc1ccc(-c2ccccc2CC(=N)N)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ JAK2 O60674 1/20 0.44
▸ CYP2A6 P11509 2/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ NNMT P40261 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ FYN P06241 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EPHB4 P54760 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
Hydrochloric Acid SCHEMBL212945 0.99 MKNK1 (0.46) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL14007487 0.82 DPP4 (0.49) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL4619479 0.82 LMNA (0.50) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL2735125 0.81 LMNA (0.49) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL18014697 0.78 CYP2A6 (0.47) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL16629580 0.78 CYP2A6 (0.47) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL15866832 0.73 DPP4 (0.55) LMNAPKMKMT2A
SCHEMBL22660623 0.72 HSD17B1 (0.55) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL13575392 0.72 L3MBTL1 (0.60) MKNK1MKNK2JAK2CYP2A6HSD17B1
SCHEMBL10094614 0.72 CYP2A6 (0.61) MKNK1MKNK2JAK2CYP2A6HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 — — US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 — — US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 — — WO 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-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 MKNK1 872/4885MKNK2 904/4885JAK2 2860/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 MKNK1 872/4885MKNK2 904/4885JAK2 2860/4885

“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.

Send feedback