SCHEMBL620069

SCHEMBL620069

NCc1ccc(NC(=O)c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
LTC4S Q16873 1/20 0.50
HDAC2 Q92769 1/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
POLB P06746 2/20 0.47
P2RX1 P51575 1/20 0.47

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
SCHEMBL620122 0.85 CYP1A2 (0.52) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL3528827 0.82 MAPT (0.62) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL7740936 0.80 HDAC1 (0.64) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL13885737 0.80 RAB9A (0.58) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL7748111 0.79 RAB9A (0.83) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL28652032 0.79 KCNMA1 (0.60) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL28787280 0.79 LTC4S (0.54) RAB9ACYP1A2CYP2C19HDAC1HDAC8
SCHEMBL7606676 0.79 MAPT (0.67) CYP1A2CYP2C19HDAC1HDAC8HDAC6
SCHEMBL10232972 0.78 HDAC1 (0.60) RAB9ACYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL29396019 0.78 RAB9A (0.56) RAB9ACYP1A2CYP2D6CYP2C19HDAC1

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 7 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
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

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 RAB9A 2438/4885CYP1A2 367/4885CYP2D6 356/4885

“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.