SCHEMBL954881

SCHEMBL954881

CCOc1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.37
CDC7 O00311 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
EGFR P00533 1/20 0.35
VCP P55072 1/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
TARBP2 Q15633 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 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
SCHEMBL952001 0.91 CDC7 (0.37) KDM4ELMNACDC7TRPM8DBF4
SCHEMBL952685 0.91 LMNA (0.46) SMN1; SMN2KDM4ELMNACDC7TRPM8
SCHEMBL951849 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AKDM4EVCPNPC1
SCHEMBL953608 0.88 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AKDM4EEGFRVCP
SCHEMBL954065 0.82 PLK1 (0.41) SMN1; SMN2KMT2ACDC7DBF4VCP
SCHEMBL954624 0.81 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AKDM4ECDC7DBF4
SCHEMBL954286 0.81 NPC1 (0.34) SMN1; SMN2KMT2AKDM4ECDC7DBF4
SCHEMBL953720 0.81 TRPM8 (0.40) SMN1; SMN2KMT2AKDM4ELMNACDC7
SCHEMBL952316 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AKDM4ELMNAVCP
SCHEMBL953113 0.80 CDC7 (0.50) SMN1; SMN2KMT2AKDM4ECDC7DBF4

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 SMN1; SMN2 3758/4885KMT2A 2441/4885KDM4E 1981/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885KMT2A 2459/4885KDM4E 2304/4885

“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.