SCHEMBL19784069

SCHEMBL19784069

CC[C@@H](NC(=O)c1cn(-c2ncc(F)cc2Cl)c2nc(N3CC4CC4(O)C3)ccc2c1=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
GRM4 Q14833 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
CHRM4 P08173 1/20 0.30
NTRK1 P04629 3/20 0.30
JAK2 O60674 2/20 0.30
HTR3A P46098 2/20 0.30

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
SCHEMBL21220081 1.00 ALDH1A1 (0.31) ALDH1A1TSHRGRM4CNR2CNR1
SCHEMBL19783926 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCNR2CNR1NTRK1
SCHEMBL21220053 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCNR2CNR1NTRK1
SCHEMBL21220051 0.89 PDE4A (0.34) ALDH1A1TSHRCNR2
SCHEMBL19783542 0.89 PDE4A (0.34) ALDH1A1TSHRCNR2
SCHEMBL19784061 0.89 ULK1 (0.32) GRM4JAK2
SCHEMBL22590969 0.89 ULK1 (0.32) GRM4JAK2
SCHEMBL21220075 0.89 ULK1 (0.32) GRM4JAK2
SCHEMBL20531833 0.89 CNR2 (0.31) ALDH1A1TSHRCNR2CNR1
SCHEMBL20531831 0.89 CNR2 (0.31) ALDH1A1TSHRCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
US-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-08 US disclosed
US-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-08 US disclosed
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO 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 (1 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-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF GLS, TNNI3, AADAC ALDH1A1 832/4885TSHR 2059/4885GRM4 3442/4885

“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.