SCHEMBL10085335

SCHEMBL10085335

COc1ncc(C(C)C)nc1OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
APLNR P35414 2/20 0.30
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6124109 0.83 PDCD1 (0.38) PDCD1CD274
SCHEMBL24215353 0.83 APLNR (0.35) KMT2AHTTRECQLAPLNR
SCHEMBL9606634 0.83 PIK3CA (0.33) KMT2AHTTRECQL
SCHEMBL29333357 0.83 HTT (0.33) HTTRECQL
SCHEMBL19407622 0.82 P2RX3 (0.30)
SCHEMBL30067748 0.82 P2RX3 (0.36) MAPTCASP1
SCHEMBL25911621 0.82 P2RX3 (0.36) HTTRECQLMAPTCASP1AURKA
SCHEMBL84915 0.82 P2RX3 (0.36) MAPTCASP1
SCHEMBL30068288 0.82 P2RX3 (0.36) HTTRECQLMAPTCASP1AURKA
SCHEMBL19407755 0.77 CYP2C19 (0.33) AURKAAURKB

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 4 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
CN-101547934-A Process for selectively localizing active ingredients on and in mitochondria and corresponding active ingredients UGICHEM GES FUER ORGANISCHE CH (AT) 2009-09-30 CN disclosed
CN-101495505-A Chiral compounds substituted with phosphonate ester or phosphonic acid UGICHEM GMBH (AT) 2009-07-29 CN 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 KMT2A 2403/4885HTT 519/4885RECQL 1250/4885

“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.