SCHEMBL952060

SCHEMBL952060

Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2Cl)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.39
KDM4E B2RXH2 4/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.35
RORC P51449 1/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL953870 0.93 SMN1; SMN2 (0.39) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL951314 0.91 CDC7 (0.37) SCN3AKDM4EPPARGNCOA2PDE2A
SCHEMBL953252 0.90 ALDH1A1 (0.38) SCN3AKDM4EPPARGNCOA2PDE2A
SCHEMBL953922 0.87 MAP4K1 (0.36) SMN1; SMN2RORC
SCHEMBL956374 0.87 KMT2A (0.39) SCN3APDE2APDE10AKMT2AMEN1
SCHEMBL953589 0.86 CDC7 (0.43) SCN3AKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL955904 0.86 CDC7 (0.40) KDM4EKMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL958443 0.85 CDC7 (0.36) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL954286 0.84 NPC1 (0.34) KDM4EPDE10AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL955010 0.84 CDC7 (0.40) KMT2AMEN1LMNA

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 SCN3A 3225/4885KDM4E 1981/4885PPARG 918/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SCN3A 4508/4885KDM4E 2304/4885PPARG 276/4885

“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.