SCHEMBL952279

SCHEMBL952279

Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2F)c(-c2nc[nH]n2)s1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 1/20 0.32
SCD O00767 1/20 0.32
FFAR1 O14842 2/20 0.31
PPARD Q03181 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MCHR1 Q99705 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DYRK1A Q13627 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
SCHEMBL956260 0.89 PDE10A (0.33) PDE10AFFAR1PPARD
SCHEMBL952318 0.85 HRH3 (0.36) NPC1RAB9AMCHR1
SCHEMBL954160 0.84 PDE2A (0.36) MEN1KMT2ANPC1
SCHEMBL957485 0.82 SCD (0.40) SCDFFAR1PPARDMEN1KMT2A
SCHEMBL6842806 0.81 BRD4 (0.40) BRD4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL953838 0.81 CDC7 (0.44) SCDFFAR1PPARDMEN1KMT2A
SCHEMBL6842787 0.81 IGF1R (0.39) BRD4PPARDKMT2ACYP3A4
SCHEMBL952568 0.81 MCHR1 (0.36) PPARDMCHR1
Hydrochloric Acid SCHEMBL954124 0.80 PPARD (0.31) PPARD
SCHEMBL951916 0.80 DRD1 (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 PDE10A 964/4885BRD4 1202/4885SCD 2732/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PDE10A 2771/4885BRD4 1047/4885SCD 914/4885

“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.