SCHEMBL951849

SCHEMBL951849

Cc1nn2ccccc2c1-c1nc(OCc2ccccc2)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VCP P55072 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ALKBH1 Q13686 2/20 0.36
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36
PLK1 P53350 1/20 0.36
SCD O00767 1/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
TARBP2 Q15633 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL954065 0.92 PLK1 (0.41) SMN1; SMN2ATP4AATP4BL3MBTL1VCP
SCHEMBL953720 0.91 TRPM8 (0.40) SMN1; SMN2ATP4AATP4BL3MBTL1VCP
SCHEMBL954881 0.90 SMN1; SMN2 (0.39) SMN1; SMN2VCPKDM4EKMT2AALDH1A1
SCHEMBL953608 0.86 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1VCPKDM4EKMT2A
SCHEMBL954287 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ATP4AATP4BL3MBTL1KDM4E
SCHEMBL952316 0.83 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1VCPKDM4EKMT2A
SCHEMBL952001 0.80 CDC7 (0.37) L3MBTL1KDM4EALDH1A1PLK1RAB9A
SCHEMBL952685 0.80 LMNA (0.46) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL954624 0.80 SMN1; SMN2 (0.44) SMN1; SMN2VCPKDM4EKMT2AALDH1A1
SCHEMBL951783 0.79 CDC7 (0.43) SMN1; SMN2SCD

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 3758/4885ATP4A 3299/4885ATP4B 2568/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885ATP4A 3254/4885ATP4B 3248/4885

“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.