SCHEMBL2710951

SCHEMBL2710951

CS(=O)(=O)c1ccc(N2CCOCC2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.54
HTR6 P50406 2/20 0.46
MAPT P10636 7/20 0.46
AKR1C3 P42330 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
PRKDC P78527 2/20 0.44
CYP2C9 P11712 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18230080 0.83 MAPT (0.55) HTR6MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3748129 0.82 MAPT (0.47) LGMNMAPTAKR1C3PKMTSHR
SCHEMBL18230034 0.78 CASP6 (0.57) HTR6MAPTAKR1C3TP53USP2
Sulfuric Acid SCHEMBL7800602 0.78 LGMN (0.61) LGMNMAPTPKMTSHRPRKDC
SCHEMBL904452 0.77 LGMN (0.73) LGMNMAPTPKMTSHRPRKDC
SCHEMBL519730 0.76 MAPT (0.54) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL375628 0.76 LGMN (0.62) LGMNMAPTPKMPRKDCCYP2C9
SCHEMBL30545196 0.76 LGMN (0.62) LGMNMAPTPKMPRKDCCYP2C9
SCHEMBL2060694 0.75 LGMN (0.54) LGMNMAPTPKMTSHRPRKDC
SCHEMBL6867994 0.75 AKR1C3 (0.71) MAPTAKR1C3PKMTSHRTP53

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
WO-2018188785-A1 COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND Technische Universität München (DE) 2018-10-18 WO disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 LGMN 3202/4885HTR6 3522/4885MAPT 3291/4885

“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.