SCHEMBL3794565

SCHEMBL3794565

CNc1ccc(-c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
CYP3A4 P08684 3/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
MKNK1 Q9BUB5 4/20 0.57
MKNK2 Q9HBH9 4/20 0.57
KIF11 P52732 1/20 0.56
CYP11B2 P19099 2/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP19A1 P11511 2/20 0.49
EPHX2 P34913 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL23969884 0.94 CYP2A6 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL17194812 0.83 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29666522 0.83 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29360677 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL13907273 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL24534338 0.82 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL2650388 0.81 EPHX2 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL30098400 0.81 EPHX2 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL15158543 0.80 CYP1A2 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL5778503 0.80 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
WO-2023049218-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
WO-2023017388-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE ARENA PHARMACEUTICALS, INC. (US) 2023-02-16 WO disclosed
WO-2021237223-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2021-11-25 WO disclosed
WO-2021135183-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (3 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CYP2A6 3540/4885CYP3A4 2897/4885ALDH1A1 3425/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP2A6 333/4885CYP3A4 177/4885ALDH1A1 4339/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP2A6 73/4885CYP3A4 22/4885ALDH1A1 181/4885

“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.