SCHEMBL309116

SCHEMBL309116

CN(C)Cc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
NOS1 P29475 3/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
CYP19A1 P11511 1/20 0.50
HSD11B1 P28845 1/20 0.48
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
HTR7 P34969 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42
NOS2 P35228 2/20 0.42
TAAR1 Q96RJ0 2/20 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
Hydrochloric Acid SCHEMBL3863134 0.98 MAOA (0.53) ALDH1A1TSHRNOS1MAOAMAOB
Hydrochloric Acid SCHEMBL5913208 0.98 MAOA (0.53) ALDH1A1TSHRNOS1MAOAMAOB
SCHEMBL989636 0.84 ALDH1A1 (0.67) ALDH1A1TSHRNOS1HTR7CHRNB2
SCHEMBL28223911 0.83 HSD11B1 (0.49) ALDH1A1NOS1MAOAMAOBCYP19A1
SCHEMBL13185158 0.83 MAOB (0.48) ALDH1A1NOS1MAOAMAOBCYP19A1
SCHEMBL374305 0.83 ALDH1A1 (0.49) ALDH1A1TSHRNOS1MAOAMAOB
SCHEMBL3146615 0.82 CHRNB2 (0.50) MAOAMAOBCYP19A1HSD11B1CYP3A4
SCHEMBL13085739 0.82 ALDH1A1 (0.43) ALDH1A1TSHRNOS1MAOAMAOB
SCHEMBL6675561 0.82 MAOB (0.57) ALDH1A1TSHRMAOAMAOBCYP19A1
SCHEMBL529408 0.79 TAAR1 (0.61) NOS1MAOAMAOBCYP19A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209485-A Pyrimidine skeleton compound with anti-tumor activity and preparation method and application thereof 四川大学华西医院 2023-12-12 CN claimed
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
WO-2009021169-A2 (7H-PYRR0L0 [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
US-12534474-B2 Dihydrofuropyridine derivatives as rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-01-27 US disclosed
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed
EP-4263546-B1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2025-07-02 EP disclosed
EP-4263547-B1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2025-07-02 EP disclosed
WO-2025133613-A1 COMPOUNDS COMPRISING A NAPHTHYRIDINE OR PYRIDO-PYRIMIDINE CORE AND A (HETERO)AROMATIC-AMINO SUBSTITUENT Tay Therapeutics Limited (GB) 2025-06-26 WO disclosed
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-06-12 US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
EP-0094727-A2 Substituted heterocyclyl phenylformamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-11-23 EP disclosed
EP-0074589-A2 Triazine dyes, their preparation and their use BAYER AG (DE) 1983-03-23 EP disclosed
EP-0072508-A2 Pyrazolone derivatives, their preparation and use as coupling components BAYER AG (DE) 1983-02-23 EP disclosed
EP-0012294-B1 QUATERNARY REACTIVE COMPOUNDS, THEIR PREPARATION AND THEIR APPLICATION TO INCREASE THE AFFINITY OF ANIONIC DYESTUFFS TO FIBRES CONTAINING NITROGEN OR HYDROXYL GROUPS BAYER AG (DE) 1983-02-16 EP disclosed
EP-0057245-A2 Cationic triazine dyestuffs, their preparation and their use BAYER AG (DE) 1982-08-11 EP disclosed
EP-0054616-A2 Cationic triazine dyestuffs, their preparation and process of dying BAYER AG (DE) 1982-06-30 EP disclosed
US-4281124-A Reactive quaternary compounds, their preparation and their use for increasing the affinity of anionic dyestuffs for fibres which contain nitrogen or hydroxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
EP-0015365-A1 Quaternary reactive compounds, their preparation and their use in enhancing the affinity of anionic dyestuffs BAYER AG (DE) 1980-09-17 EP disclosed
EP-0012294-A1 Quaternary reactive compounds, their preparation and their application to increase the affinity of anionic dyestuffs to fibres containing nitrogen or hydroxyl groups BAYER AG (DE) 1980-06-25 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-12534474-B2 Dihydrofuropyridine derivatives as rho-kinase inhibitors ROCK1, RHOC, ROCK2 ALDH1A1 1959/4885TSHR 3258/4885NOS1 324/4885
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 ALDH1A1 3933/4885TSHR 3859/4885NOS1 3048/4885

“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.