SCHEMBL10085403

SCHEMBL10085403

COc1ncc(N2CCC3(CC2)OCCO3)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HCRTR1 O43613 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL609770 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL10085407 0.74 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2PIK3CAMTOR
SCHEMBL17893623 0.73 PTPN11 (0.42) ALDH1A1MAPTTSHRLMNAKDM4E
SCHEMBL171913 0.73 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL17893793 0.73 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL17893740 0.69 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL17893760 0.68 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL31273952 0.68 PDCD1LG2 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL17893637 0.68 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL2273599 0.67 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG ALDH1A1 3251/4885MAPT 1613/4885SMN1; SMN2 1838/4885

“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.