SCHEMBL3341379

SCHEMBL3341379

Cc1csc2ncnc(NCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 1/20 0.50
PDE2A O00408 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 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
SCHEMBL3341679 0.89 SMN1; SMN2 (0.54) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5119056 0.83 ESR1 (0.64) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13165099 0.82 PDE5A (0.57) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3340270 0.82 RAB9A (0.52) PDE5AMEN1KMT2ASMN1; SMN2
SCHEMBL29577222 0.81 LMNA (0.53) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5130570 0.79 MAPT (0.48) PDE5AMEN1KMT2AALDH1A1CLK4
SCHEMBL3341706 0.79 ESR1 (0.50) PDE5ASMN1; SMN2CLK4
SCHEMBL3340533 0.79 RAB9A (0.49) PDE5ASMN1; SMN2
SCHEMBL5119670 0.78 HIF1A (0.46) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5121170 0.78 TSHR (0.44) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 PDE5A 3608/4885MEN1 2315/4885KMT2A 578/4885

“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.