SCHEMBL21559955

SCHEMBL21559955

COc1nc(C(=O)O)c(N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CFTR P13569 3/20 0.38
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL28762468 0.86 POLB (0.41) POLBCFTRTDP1KDM4EL3MBTL1
SCHEMBL20745291 0.81 HSD17B10 (0.40) POLBCFTRTDP1KDM4EL3MBTL1
SCHEMBL23616411 0.79 HSD17B10 (0.41) POLBTDP1KDM4EL3MBTL1PIN1
SCHEMBL2372350 0.78 CFTR (0.60) CFTR
SCHEMBL22791078 0.76 CFTR (0.53) POLBCFTRTDP1
SCHEMBL22791248 0.76 POLB (0.36) POLBTDP1KDM4EL3MBTL1PIN1
SCHEMBL23538046 0.75 CFTR (0.42) CFTRTDP1KDM4EGABRPGABRD
SCHEMBL1674658 0.74 PIK3CA (0.37) POLBALDH1A1
SCHEMBL21372397 0.74 CYP3A4 (0.37) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL31345511 0.74 PIK3CA (0.37) POLBALDH1A1

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
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2020-12-10 US disclosed
US-10633341-B2 Picolinic acid derivatives and their use as intermediates NOVARTIS AG (CH) 2020-04-28 US disclosed
US-20190345107-A1 NEW PICOLINIC ACID DERIVATIVES AND THEIR USE AS INTERMEDIATES NOVARTIS AG (CH) 2019-11-14 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 (3 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-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 POLB 2724/4885CFTR 1/4885TDP1 3600/4885
US-20190345107-A1 NEW PICOLINIC ACID DERIVATIVES AND THEIR USE AS INTERMEDIATES PYCR1, HADHA, HPD POLB 2521/4885CFTR 649/4885TDP1 4374/4885
US-10633341-B2 Picolinic acid derivatives and their use as intermediates HPD, PYCR1, PAH POLB 2715/4885CFTR 946/4885TDP1 4250/4885

“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.