SCHEMBL19783956

SCHEMBL19783956

O=C(NC1CCC1)c1cn(-c2ncc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
JAK2 O60674 2/20 0.40
NTRK1 P04629 2/20 0.40
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL19784214 0.86 CNR1 (0.44) CNR1CNR2JAK2NTRK1KCNH2
SCHEMBL19784211 0.86 CNR1 (0.44) CNR1CNR2JAK2NTRK1ALDH1A1
SCHEMBL19784033 0.85 KMT2A (0.44) ALDH1A1POLB
SCHEMBL19783591 0.84 TDO2 (0.36) JAK2NTRK1KCNH2ALDH1A1POLB
SCHEMBL21220093 0.84 ULK1 (0.35) JAK2NTRK1KCNH2
SCHEMBL19783932 0.84 ULK1 (0.35) JAK2NTRK1KCNH2
SCHEMBL19784115 0.83 NTRK1 (0.37) CNR1CNR2JAK2NTRK1ALDH1A1
SCHEMBL19783597 0.82 TDO2 (0.35) JAK2NTRK1ALDH1A1POLBPDE4A
SCHEMBL21220090 0.81 TDO2 (0.34) JAK2NTRK1KCNH2ALDH1A1POLB
SCHEMBL19784089 0.81 TDO2 (0.34) JAK2NTRK1KCNH2ALDH1A1POLB

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 CNR1 446/4885CNR2 379/4885JAK2 3495/4885

“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.