SCHEMBL4962152

SCHEMBL4962152

NCCCCCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 1.00
CYP2A6 P11509 1/20 0.85
CHRNA7 P36544 1/20 0.71
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TBXAS1 P24557 7/20 0.60
MAOA P21397 1/20 0.55
CYP3A4 P08684 1/20 0.55
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL1272548 1.00 HRH1 (1.00) HRH1CYP2A6CHRNA7TDP1L3MBTL1
SCHEMBL3531226 1.00 HRH1 (1.00) HRH1CYP2A6CHRNA7TDP1L3MBTL1
SCHEMBL11214933 1.00 HRH1 (1.00) HRH1CYP2A6CHRNA7TDP1L3MBTL1
SCHEMBL2673539 0.98 HRH1 (0.96) HRH1CYP2A6CHRNA7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL28646442 0.96 HRH1 (0.93) HRH1CYP2A6CHRNA7TDP1L3MBTL1
SCHEMBL1188053 0.92 CYP2A6 (1.00) HRH1CYP2A6CHRNA7TDP1L3MBTL1
SCHEMBL30393717 0.92 CYP2A6 (1.00) HRH1CYP2A6CHRNA7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL6286905 0.90 CYP2A6 (0.96) HRH1CYP2A6CHRNA7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL10678754 0.90 CYP2A6 (0.96) HRH1CYP2A6CHRNA7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL30682561 0.90 CYP2A6 (0.96) HRH1CYP2A6CHRNA7TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109457-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-06 US claimed
US-11351161-B2 Use of CDK9 inhibitors to reduce cartilage degradation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-07 US claimed
US-20210008054-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-14 US claimed
US-20200046726-A1 USE OF CDK9 AND BRD4 INHIBITORS TO INHIBIT INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US claimed
US-20190255034-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-22 US claimed
US-10172844-B2 Use of CDK9 inhibitors to reduce cartilage degradation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-08 US claimed
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-20230109457-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-06 US disclosed
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-08 US disclosed
US-11351161-B2 Use of CDK9 inhibitors to reduce cartilage degradation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-07 US disclosed
US-11254690-B2 PTEFb inhibiting macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-02-22 US disclosed
US-11242356-B2 PTEFb inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2022-02-08 US disclosed
EP-3601253-B1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AG (DE) 2021-09-15 EP disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 US disclosed
US-4743610-A ENZYME INHIBITORS, MYOCARDIAL INFARCTION PREVENTION AMERICAN CYANAMID COMPANY (US) 1988-05-10 US disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 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 (11 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-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB HRH1 3177/4885CYP2A6 1592/4885CHRNA7 4879/4885
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT HRH1 330/4885CYP2A6 172/4885CHRNA7 13/4885
US-20200046726-A1 USE OF CDK9 AND BRD4 INHIBITORS TO INHIBIT INFLAMMATION CDK9, BRD4, CDK19 HRH1 3398/4885CYP2A6 4228/4885CHRNA7 4335/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB HRH1 3427/4885CYP2A6 2496/4885CHRNA7 4881/4885
US-20230109457-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION CDK9, CDK19, CDKN1A HRH1 4607/4885CYP2A6 3399/4885CHRNA7 4684/4885
US-20210008054-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION CDK9, CDK19, CDKN1A HRH1 4607/4885CYP2A6 3399/4885CHRNA7 4684/4885
US-20190255034-A1 USE OF CDK9 INHIBITORS TO REDUCE CARTILAGE DEGRADATION CDK9, CDK19, CDKN1A HRH1 4607/4885CYP2A6 3399/4885CHRNA7 4684/4885
US-11351161-B2 Use of CDK9 inhibitors to reduce cartilage degradation CDK9, CDK19, CDKN1A HRH1 4607/4885CYP2A6 3399/4885CHRNA7 4684/4885
US-10172844-B2 Use of CDK9 inhibitors to reduce cartilage degradation CDK9, CDK19, CDKN1A HRH1 4607/4885CYP2A6 3399/4885CHRNA7 4684/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB HRH1 3177/4885CYP2A6 1592/4885CHRNA7 4879/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB HRH1 3177/4885CYP2A6 1592/4885CHRNA7 4879/4885

“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.