SCHEMBL2215466

SCHEMBL2215466

COc1cccc(-c2ccc(-c3cc4ccnn4c(SC)n3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALDH1A3 P47895 2/20 0.38
XDH P47989 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL2884555 0.94 CCNT1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2214089 0.91 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2213882 0.89 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2212035 0.85 SMN1; SMN2 (0.39) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2212656 0.83 SMN1; SMN2 (0.35) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2214323 0.80 ALDH1A1 (0.41) MAPTSMN1; SMN2RAB9ALMNACCNT1
SCHEMBL2216178 0.79 DHODH (0.43) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2881754 0.79 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2213284 0.77 NPC1 (0.38) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2882015 0.77 CYP17A1 (0.47) MAPTSMN1; SMN2NPC1RAB9ALMNA

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-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 MAPT 3832/4885SMN1; SMN2 1421/4885NPC1 3449/4885

“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.