SCHEMBL952525

SCHEMBL952525

Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.32
ALOX5 P09917 2/20 0.32
GABRA5 P31644 1/20 0.32
IGF1R P08069 4/20 0.32
BRD4 O60885 1/20 0.31
ATR Q13535 1/20 0.31
PPARD Q03181 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
SCD O00767 1/20 0.30
MERTK Q12866 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
SCHEMBL953598 0.92 DRD1 (0.31) DRD1
SCHEMBL951916 0.91 DRD1 (0.32) DRD1GPR84
SCHEMBL954269 0.89
SCHEMBL953238 0.89 CYP4F2 (0.31)
SCHEMBL952375 0.88 AVPR1B (0.33) IGF1R
SCHEMBL953063 0.88 HRH3 (0.33) IGF1R
SCHEMBL956028 0.88 FGFR1 (0.35) BRD4
SCHEMBL953217 0.87 DRD1 (0.30) DRD1
SCHEMBL953881 0.87 LTA4H (0.34)
SCHEMBL953625 0.86 HRH3 (0.32)

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 DRD1 3549/4885ALOX5 3860/4885GABRA5 2414/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 DRD1 2477/4885ALOX5 580/4885GABRA5 3620/4885

“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.