SCHEMBL148298

SCHEMBL148298

O=C(c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1)n1ccnc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.65
HTR3A P46098 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
TBXAS1 P24557 3/20 0.47
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAT2A P31153 1/20 0.44

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
SCHEMBL8862937 0.85 PDE4A (0.59) PDE5A
SCHEMBL715585 0.79 PDE5A (1.00) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7280241 0.78 PDE5A (1.00) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL5595125 0.76 PDE5A (0.69) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7278512 0.76 PDE5A (0.69) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL3638867 0.75 PDE5A (0.73) PDE5AHTR3AHRH4MAT2A
SCHEMBL5598640 0.75 CSF1R (0.48) PDE5A
SCHEMBL4652135 0.74 PDE5A (0.49) PDE5AHTR3AHRH4MAT2A
SCHEMBL2590769 0.73 RAD52 (0.68) PDE5AHTR3AHRH4
SCHEMBL7287234 0.72 PDE5A (0.85) PDE5ATBXAS1PDE3BPDE3APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PFIZER INC 2004-05-06 US claimed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US claimed
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction CAMPBELL SIMON FRASER (GB) 2001-11-22 US claimed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP claimed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 WO claimed
US-20150250801-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION BESINS HEALTHCARE LUXEMBOURG SARL (LU) 2015-09-10 US disclosed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
US-20140142077-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION LABORATORIES BESINS INTERNATIONAL, SAS (FR) 2014-05-22 US disclosed
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-20120245134-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-09-27 US disclosed
US-8263555-B2 Use of bradykinin and related B2R agonists to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-09-11 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
US-6294550-B1 ADMINISTERING A VASOACTIVE AGENT FROM ERGOTAMINE DRUG ASIVI, LLC 2001-09-25 US disclosed
US-6156753-A Local administration of type III phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-12-05 US disclosed
US-6127363-A FOR TRANSURETHRAL OR TRANSDERMAL ADMINISTRATION OR INTRACAVERNOSAL INJECTION, KITS VIVUS, INC. (US) 2000-10-03 US disclosed
EP-1027057-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION Asivi, LLC (US) 2000-08-16 EP disclosed
US-6037346-A Local administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-03-14 US disclosed
WO-1999021562-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION ASIVI, LLC (US) 1999-05-06 WO disclosed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP disclosed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 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 (4 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PDE5A 302/4885HTR3A 491/4885HRH4 36/4885
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE5A, PDE2A PDE5A 2/4885HTR3A 465/4885HRH4 3599/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE5A 3481/4885HTR3A 4130/4885HRH4 3447/4885
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE2A, PDE3B PDE5A 4/4885HTR3A 245/4885HRH4 1962/4885

“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.