SCHEMBL3341679

SCHEMBL3341679

Cc1csc2ncnc(NCCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
PDE5A O76074 9/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIP4K2C Q8TBX8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CLK1 P49759 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL3341379 0.89 PDE5A (0.57) SMN1; SMN2PDE5AALDH1A1MEN1KMT2A
SCHEMBL5117409 0.83 ESR1 (0.53) HTTPDE5AALDH1A1MAPTNPSR1
SCHEMBL7617647 0.81 PDE5A (0.52) SMN1; SMN2HTTRAB9APDE5AALDH1A1
SCHEMBL3385119 0.81 LMNA (0.49) SMN1; SMN2HTTRAB9AALDH1A1MAPT
SCHEMBL13431476 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HTTRAB9AALDH1A1MAPT
SCHEMBL5122824 0.80 PRKCI (0.46) PDE5A
SCHEMBL5119891 0.79 METAP1 (0.44) SMN1; SMN2HTTRAB9APDE5AALDH1A1
SCHEMBL13431477 0.79 SMN1; SMN2 (0.63) SMN1; SMN2HTTRAB9AALDH1A1MAPT
SCHEMBL5124266 0.79 BCDIN3D (0.42) HTTPDE5AALDH1A1MAPTNPSR1
SCHEMBL5128338 0.79 BCDIN3D (0.39) SMN1; SMN2HTTRAB9APDE5AALDH1A1

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 SMN1; SMN2 4740/4885HTT 383/4885RAB9A 2578/4885

“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.