SCHEMBL4927003

SCHEMBL4927003

O=C1CN2Cc3c(Br)cccc3N=C2N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.60
PDE3A Q14432 20/20 0.60
P2RY12 Q9H244 2/20 0.58
MEN1 O00255 1/20 0.58
PDE2A O00408 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL1570572 0.82 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1570935 0.82 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL7306463 0.82 PDE3B (0.70) PDE3BPDE3AP2RY12MEN1PDE2A
Hydrochloric Acid SCHEMBL10605149 0.81 PDE3B (0.58) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1571161 0.80 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1571257 0.80 PDE3B (0.75) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL7302448 0.79 PDE3B (0.56) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL10602377 0.78 PDE3B (0.55) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL11866311 0.76 PDE3B (0.52) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1570768 0.75 PDE3B (1.00) PDE3BPDE3AP2RY12MEN1PDE2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use NITROMED, INC. (US) 2008-01-10 US claimed
US-20040087591-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use GARVEY DAVID S (US) 2004-05-06 US claimed
US-6472425-B1 Methods for treating female sexual dysfunctions NITROMED, INC. 2002-10-29 US claimed
US-6462044-B2 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2002-10-08 US claimed
US-6331543-B1 TREATING SEXUAL DYSFUNCTION NITROMED, INC. 2001-12-18 US claimed
US-6197778-B1 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2001-03-06 US claimed

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-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE2A PDE3B 2/4885PDE3A 1/4885P2RY12 514/4885
US-20040087591-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE5A PDE3B 2/4885PDE3A 1/4885P2RY12 675/4885

“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.