SCHEMBL4906652

SCHEMBL4906652

CCc1cncc(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
HTT P42858 1/20 0.34
PTGER4 P35408 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP11B2 P19099 1/20 0.31

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
SCHEMBL29955560 1.00 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2922984 0.80 TDP1 (0.46) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL14964111 0.79 CYP2A6 (0.38) ALDH1A1LMNAHPGDPRMT5WDR77
SCHEMBL29952117 0.79 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL29318108 0.79
SCHEMBL12482370 0.79 LOXL2 (0.35) CHRNB2CHRNA4CYP11B2
SCHEMBL29956119 0.79 LOXL2 (0.35) CHRNB2CHRNA4CYP11B2
SCHEMBL4022995 0.79 HDAC8 (0.39) ALDH1A1MAPTSMN1; SMN2SMYD3HTT
SCHEMBL17820243 0.79 CYP11B2 (0.42) ALDH1A1MAPTPRMT5WDR77CYP11B2
SCHEMBL240843 0.77 SMYD3 (0.39) ALDH1A1MAPTSMN1; SMN2SMYD3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894882-A Tertiary amine compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2025-04-25 CN disclosed
WO-2024217537-A1 TERTIARY AMINE COMPOUND AS WELL AS PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2024-10-24 WO disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF ALDH1A1 1662/4885MAPT 3324/4885SMN1; SMN2 3598/4885
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 ALDH1A1 1911/4885MAPT 905/4885SMN1; SMN2 1230/4885

“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.