SCHEMBL91519

SCHEMBL91519

CN1CCN(c2ccncc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.64
MELK Q14680 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
KMT2A Q03164 2/20 0.57
ADRA2C P18825 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 1/20 0.57
PTK2B Q14289 1/20 0.57
ESR2 Q92731 1/20 0.57
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
HRH4 Q9H3N8 2/20 0.51
PLOD2 O00469 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 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
SCHEMBL8918268 0.92 CHKA (0.67) CHKAMELKALDH1A1GAAKMT2A
SCHEMBL28112415 0.88 CHKA (0.80) CHKAGAAMAPTKDM4EADRB2
SCHEMBL28337260 0.88 MELK (0.69) CHKAMELKALDH1A1GAAKMT2A
SCHEMBL28875268 0.83 MELK (0.52) CHKAMELKALDH1A1GAAKMT2A
SCHEMBL13189834 0.82 CYP2C9 (0.64) CHKAALDH1A1
SCHEMBL18867080 0.82 L3MBTL3 (0.53) CHKAMELKALDH1A1KMT2AADRB2
Tert-Butyl Formate SCHEMBL27681794 0.82 ALDH1A1 (0.49) CHKAMELKALDH1A1GAAKMT2A
SCHEMBL171845 0.80 MAPT (0.63) CHKAMELKALDH1A1GAAKMT2A
SCHEMBL13977101 0.79 MELK (0.56) MELKALDH1A1GAAKMT2AADRA2C
SCHEMBL18590696 0.79 CHKA (0.67) CHKAGAAMAPTKDM4EADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
US-4761467-A REACTING METHANOL, CARBON MONOXIDE AND OXYGEN TO PRODUCE DIMETHYL CARBONATE WITH A CUPRIC METHOXYCHLORIDE-PYRIDINE COMPOUND CATALYST TEXACO INC. (US) 1988-08-02 US claimed
EP-0074837-A1 4-Substituted pyridine catalysts REILLY TAR & CHEMICAL CORPORATION (US) 1983-03-23 EP claimed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
WO-2023107648-A2 SYNTHESIS OF ESTER, CARBONATE, AND CARBAMATE-DERIVED NOVEL BIODEGRADABLE IONIZABLE LIPIDS FROM METHYL RICINOLEATE OR METHYL 12-HYDROXYSTEARATE AND ITS APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 WO disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
US-5444163-A Preparation of reactive phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
EP-0602562-A1 Process for the preparation of phthalocyanine reactive dyes BASF Aktiengesellschaft (DE) 1994-06-22 EP disclosed
EP-0597411-A1 Process for the preparation of phthalocyanine reactive dyes BASF Aktiengesellschaft (DE) 1994-05-18 EP disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
US-4761467-A REACTING METHANOL, CARBON MONOXIDE AND OXYGEN TO PRODUCE DIMETHYL CARBONATE WITH A CUPRIC METHOXYCHLORIDE-PYRIDINE COMPOUND CATALYST TEXACO INC. (US) 1988-08-02 US disclosed
EP-0217651-A2 Preparation of organic carbonates TEXACO DEVELOPMENT CORPORATION (US) 1987-04-08 EP disclosed
EP-0074837-A1 4-Substituted pyridine catalysts REILLY TAR & CHEMICAL CORPORATION (US) 1983-03-23 EP disclosed
EP-0074837-A1 4-Substituted pyridine catalysts REILLY TAR & CHEMICAL CORPORATION (US) 1983-03-23 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 (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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CHKA 886/4885MELK 2392/4885ALDH1A1 4081/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CHKA 1031/4885MELK 1330/4885ALDH1A1 3073/4885

“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.