SCHEMBL16363659

SCHEMBL16363659

CCCCn1nc(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
ADRA1A P35348 4/20 0.61
HRH1 P35367 4/20 0.61
ADRA1B P35368 4/20 0.61
HRH3 Q9Y5N1 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KCNH2 Q12809 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51

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
SCHEMBL12877772 0.85 TSHR (0.71) TSHRADRA1AHRH1ADRA1BHRH3
Talastine SCHEMBL30502 0.82 ADRA1A (0.81) TSHRADRA1AHRH1ADRA1BHRH3
Talastine SCHEMBL29350005 0.82 ADRA1A (0.81) TSHRADRA1AHRH1ADRA1BHRH3
Talastine SCHEMBL1650995 0.80 ADRA1A (0.78) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL8556390 0.79 ENPP1 (0.65) TSHRADRA1AHRH1ADRA1BCYP1A2
SCHEMBL12862542 0.79 TSHR (0.66) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL12892041 0.78 TSHR (0.78) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15478270 0.78 TSHR (0.82) TSHRADRA1AHRH1ADRA1BCYP1A2
SCHEMBL13890824 0.76 HRH1 (0.72) TSHRADRA1AHRH1ADRA1BHRH3
SCHEMBL16363658 0.76 HRH1 (0.68) TSHRADRA1AHRH1ADRA1BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 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 (2 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-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO TSHR 3184/4885ADRA1A 1503/4885HRH1 798/4885
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO TSHR 3184/4885ADRA1A 1503/4885HRH1 798/4885

“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.