SCHEMBL607889

SCHEMBL607889

COc1ncc(N2CCC(=O)CC2)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
UCHL3 P15374 1/20 0.33
PIK3CG P48736 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31

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
SCHEMBL10085407 0.88 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17893618 0.75 UCHL3 (0.39) ALDH1A1NPC1RAB9AROCK2HTR3A
SCHEMBL7485662 0.74 PIK3CG (0.49) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL609770 0.73 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL321957 0.72 PIK3CD (0.45) PIK3CG
SCHEMBL169966 0.72 PIK3CG (0.50) MAPTSMN1; SMN2PIK3CG
SCHEMBL17893575 0.71 ALDH1A1 (0.44) ALDH1A1MAPTSUV39H2KMT2A
SCHEMBL12490612 0.70 KCNH2 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL611226 0.70 RAD52 (0.48) ALDH1A1MAPTPIK3CGLMNAKDM4E
SCHEMBL12490746 0.70 PIK3CA (0.36) ALDH1A1MAPTHTR3AHRH4LMNA

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 6 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-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
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG ALDH1A1 3251/4885NPC1 1251/4885RAB9A 1092/4885

“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.