SCHEMBL879052

SCHEMBL879052

NCc1ccc(N)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.71
TSHR P16473 3/20 0.52
CSNK2A1 P68400 10/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
PNMT P11086 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.44
GAA P10253 1/20 0.43
LOX P28300 1/20 0.43
LOXL3 P58215 1/20 0.43
ESR2 Q92731 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 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
SCHEMBL29467979 1.00 CYP3A4 (0.71) CYP3A4TSHRCSNK2A1ALDH1A1MAPK1
SCHEMBL30097830 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1MAPK1PNMT
SCHEMBL43509 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1MAPK1PNMT
SCHEMBL1170188 0.83 CYP3A4 (0.74) CYP3A4TSHRALDH1A1MAPK1PNMT
SCHEMBL2735049 0.82 TAAR1 (0.69) CYP3A4TSHRALDH1A1MAPK1PNMT
SCHEMBL638305 0.81 TP53 (0.52) CYP3A4TSHRCSNK2A1PNMTTAAR1
SCHEMBL8765734 0.81 CYP3A4 (0.95) CYP3A4TSHRALDH1A1MAPK1PNMT
Ammonia Solution, Strong SCHEMBL9140534 0.81 CYP3A4 (0.95) CYP3A4TSHRALDH1A1MAPK1PNMT
Hydrochloric Acid SCHEMBL1467765 0.80 TAAR1 (0.67) CYP3A4TSHRALDH1A1MAPK1PNMT
SCHEMBL112200 0.80 PNMT (0.67) CSNK2A1PNMTTAAR1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-4349839-A2 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2024-04-10 EP disclosed
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
US-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 US disclosed
EP-4013500-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2022-06-22 EP disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
WO-2021005586-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2021-01-14 WO disclosed
US-4282135-A Aminoplast dispersions and polyurethanes prepared therefrom BAYER AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
US-4225481-A Aminoplast dispersions and polyurethanes prepared therefrom BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4217272-A DYEING CELLULOSIC FIBERS STERLING DRUG INC. (US) 1980-08-12 US disclosed
US-4160754-A Stable polymer gels BAYER AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 US disclosed
US-4122049-A Process for the production of polyurethane foam BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4028310-A REACTING POLYISOCYANATES WITH DIAMINES, COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US disclosed
US-4028306-A COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US disclosed
US-3931112-A POLYURETHANE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US 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 (4 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-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 CYP3A4 141/4885TSHR 3665/4885CSNK2A1 1091/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 CYP3A4 141/4885TSHR 3665/4885CSNK2A1 1091/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 CYP3A4 141/4885TSHR 3665/4885CSNK2A1 1091/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 CYP3A4 141/4885TSHR 3665/4885CSNK2A1 1091/4885

“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.