SCHEMBL617760

SCHEMBL617760

Cc1nc2nccc(Cl)c2cc1C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
CCR1 P32246 10/20 0.52
MEN1 O00255 1/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
RIPK1 Q13546 1/20 0.47
MLYCD O95822 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL617827 0.87 RIPK1 (0.48) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL619169 0.87 PPARA (0.51) LMNAHPGDCCR1MEN1KMT2A
SCHEMBL247884 0.84 LMNA (0.52) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL252395 0.82 BRAF (0.48) CCR1KMT2ARIPK1
SCHEMBL619276 0.82 MEN1 (0.52) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL619512 0.82 CCR1 (0.57) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL31414537 0.80 LMNA (0.59) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL619975 0.77 TRPV1 (0.48) LMNAHPGDMEN1KMT2A
SCHEMBL619759 0.76 PSEN1 (0.47) LMNAHPGDCCR1MEN1PLA2G1B
SCHEMBL26625392 0.76 LMNA (0.69) LMNAHPGDCCR1MEN1PLA2G1B

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
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 LMNA 4429/4885HPGD 151/4885CCR1 973/4885

“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.