SCHEMBL9920622

SCHEMBL9920622

COc1ccc2sccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 3/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5173299 0.77 CA2 (0.37) ADORA2AADORA1CYP1A2KDM4EALDH1A1
SCHEMBL17429941 0.76 CYP2A6 (0.37) CYP2A6
SCHEMBL16751340 0.73 PDE10A (0.46) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL424668 0.72 CYP1A2 (0.41) ADORA2AADORA1POLBCYP1A2KDM4E
SCHEMBL25822895 0.72 DYRK1A (0.32) CYP2A6
SCHEMBL22990772 0.69 NCF1 (0.45) ADORA2AADORA1POLBCYP1A2KMT2A
SCHEMBL30061266 0.69 PDE10A (0.36) PDE10APDE2APDE5APDE4APDE7A
SCHEMBL7708390 0.69 ADORA3 (0.36) PDE7AADORA2AADORA1NPC1MAPT
SCHEMBL7534470 0.69 ALDH1A1 (0.44) PIK3CAPIK3CBPIK3CGPI4KBCYP1A2
SCHEMBL9920688 0.69 ADORA2A (0.43) ADORA2AADORA1TDP1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 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 (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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 PDE10A 726/4885PDE2A 787/4885PDE5A 1153/4885

“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.