SCHEMBL432877

SCHEMBL432877

CN(c1ccccc1)c1nc(-c2cccnc2)nc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
PDE5A O76074 5/20 0.55
CSF1R P07333 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.51
GBA1 P04062 11/20 0.50

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
SCHEMBL14474975 0.80 MEN1 (0.65) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14475167 0.79 MEN1 (0.64) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL2154602 0.79 PDE5A (0.62) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL27721055 0.78 PDE5A (0.76) MEN1ALDH1A1CYP1A2GLACYP3A4
Hydrochloric Acid SCHEMBL7280013 0.77 PDE5A (0.63) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL18022985 0.77 CYP1A2 (0.52) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL23601070 0.77 CSF1R (0.68) PDE5ACSF1R
SCHEMBL432072 0.76 CSF1R (0.56) MEN1KMT2APDE5ACSF1RABCG2
SCHEMBL14727535 0.75 CYP1A2 (0.65) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14727344 0.74 CYP1A2 (0.73) ALDH1A1CYP1A2CYP3A4TSHRCLK4

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 MEN1 4750/4885ALDH1A1 2280/4885CYP1A2 1573/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 MEN1 4742/4885ALDH1A1 1784/4885CYP1A2 1077/4885

“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.