SCHEMBL952316

SCHEMBL952316

Cc1nn2ccccc2c1-c1nc(Cc2ccccc2)c(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
VCP P55072 1/20 0.40
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 4/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 4/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
SCN3A Q9NY46 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
SCD O00767 2/20 0.36

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
SCHEMBL955218 0.91 ALDH1A1 (0.40) SMN1; SMN2VCPRAB9AGAAALDH1A1
SCHEMBL952070 0.89 CDC7 (0.47) SMN1; SMN2KDM4ERAB9AALDH1A1MAPT
SCHEMBL951849 0.83 SMN1; SMN2 (0.40) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL953113 0.82 CDC7 (0.50) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL954624 0.81 SMN1; SMN2 (0.44) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL954881 0.81 SMN1; SMN2 (0.39) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL955587 0.79 SMN1; SMN2 (0.40) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL955586 0.79 SMN1; SMN2 (0.40) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL953870 0.78 SMN1; SMN2 (0.39) SMN1; SMN2VCPKDM4ERAB9AGAA
SCHEMBL953589 0.78 CDC7 (0.43) SMN1; SMN2KDM4ERAB9AGAAALDH1A1

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 3758/4885VCP 2637/4885KDM4E 1981/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885VCP 3470/4885KDM4E 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.