SCHEMBL432878

SCHEMBL432878

CNc1c(Cl)ccc2nc(-c3cccnc3)nc(-c3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
CYP1A2 P05177 5/20 0.52
CLK4 Q9HAZ1 4/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2D6 P10635 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP2C9 P11712 2/20 0.52
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43
PDE5A O76074 5/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43

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
SCHEMBL715587 0.74 NPSR1 (0.47) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL14475829 0.71 CYP1A2 (0.64) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL16184293 0.70 CYP1A2 (0.54) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL5598644 0.70 NAMPT (0.35)
SCHEMBL24590228 0.69 ALDH1A1 (0.62) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL16184313 0.69 CYP1A2 (0.62) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL16184315 0.69 CYP1A2 (0.49) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL14474587 0.69 CYP1A2 (0.65) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL20273653 0.69 CYP1A2 (1.00) CYP3A4CYP1A2CLK4CYP2C19CYP2D6
SCHEMBL16184305 0.68 CYP1A2 (0.48) CYP3A4CYP1A2CLK4CYP2C19CYP2D6

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US claimed
EP-1140044-B1 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2006-03-15 EP claimed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US claimed
US-10994082-B2 Inhaler counter ASTRAZENECA AB (SE) 2021-05-04 US disclosed
US-20190175849-A1 INHALER COUNTER BANG & OLUFSEN MEDICOM A/S (DK) 2019-06-13 US disclosed
US-20180339119-A1 INHALER BANG & OLUFSEN MEDICOM A/S (DK) 2018-11-29 US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 EP disclosed
EP-3345644-A1 INHALER Astrazeneca AB (SE) 2018-07-11 EP disclosed
EP-2755708-B1 INHALER ASTRAZENECA AB (SE) 2018-05-09 EP disclosed
EP-2448623-B1 DISPENSER AND METHOD FOR ENTRAINING POWDER IN AN AIRFLOW ASTRAZENECA AB (SE) 2017-12-20 EP disclosed
EP-2341968-B1 A BREATH ACTIVATED INHALER ASTRAZENECA AB (SE) 2017-05-10 EP disclosed
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone ASTRAZENECA AB (SE) 2010-02-04 US disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
US-20080242649-A1 New Combination 665 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
EP-1140044-B1 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2006-03-15 EP 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-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 CYP3A4 2963/4885CYP1A2 1573/4885CLK4 2345/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 CYP3A4 2812/4885CYP1A2 1077/4885CLK4 2231/4885

“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.