SCHEMBL20636645

SCHEMBL20636645

Cc1nn(C)cc1-c1ccc(C=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
COMT P21964 1/20 0.39
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FGFR4 P22455 6/20 0.35
FGFR1 P11362 5/20 0.35
FGFR2 P21802 3/20 0.35
FGFR3 P22607 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
MTOR P42345 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
KCNJ1 P48048 1/20 0.34
CYP11B1 P15538 1/20 0.34
BRD4 O60885 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL16561248 0.79 CCR1 (0.52) ALDH1A1COMTHPGDFGFR4FGFR1
SCHEMBL21051410 0.76 ALDH1A1 (0.47) ALDH1A1COMTHPGDFGFR4FGFR1
SCHEMBL20542173 0.76 ALDH1A1 (0.44) ALDH1A1COMTHPGDFGFR4FGFR1
SCHEMBL20542125 0.76 ALDH1A1 (0.44) ALDH1A1COMTHPGDFGFR4FGFR1
SCHEMBL21873379 0.74 JMJD6 (0.41) ALDH1A1KDM4EKCNJ1CYP11B1
SCHEMBL31607175 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBKCNJ1CYP11B1
SCHEMBL31607172 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBKCNJ1CYP11B1
SCHEMBL28642610 0.73 CCR1 (0.44) ALDH1A1MAPT
SCHEMBL2726681 0.72 ALDH1A1 (0.44) ALDH1A1COMTHPGDFGFR4FGFR1
SCHEMBL19925989 0.72 CYP11B1 (0.49) FGFR3MAPTCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 US disclosed
EP-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 EP disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 US disclosed
EP-3612527-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2022-07-20 EP disclosed
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 US disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 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 (6 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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 ALDH1A1 2614/4885COMT 28/4885HPGD 4739/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 ALDH1A1 1030/4885COMT 148/4885HPGD 442/4885
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 ALDH1A1 1030/4885COMT 148/4885HPGD 442/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 ALDH1A1 2614/4885COMT 28/4885HPGD 4739/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 ALDH1A1 977/4885COMT 147/4885HPGD 456/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 ALDH1A1 977/4885COMT 147/4885HPGD 456/4885

“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.