SCHEMBL6216645

SCHEMBL6216645

O=C(O)CSCc1nc(NCc2ccccc2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.57
MAPT P10636 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
LMNA P02545 2/20 0.52
CYP2D6 P10635 2/20 0.52
PTGS2 P35354 1/20 0.50
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6213312 0.92 KMT2A (0.65) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6212899 0.92 KMT2A (0.52) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6219353 0.92 MEN1 (0.52) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6218134 0.90 PDE5A (0.46) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6216459 0.90 MAPT (0.52) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6216473 0.88 PTGS2 (0.47) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6213101 0.88 MEN1 (0.47) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5247210 0.87 PDE5A (0.58) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6211050 0.85 ALDH1A1 (0.50) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL6217931 0.85 MAPT (0.47) PDE5AMAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351962-B1 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
US-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 PDE5A 10/4885MAPT 4330/4885MEN1 2082/4885

“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.