SCHEMBL964849

SCHEMBL964849

Nc1nc(On2nnc3ccccc32)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.48
▸ TP53 P04637 6/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 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
SCHEMBL968558 0.79 LMNA (0.56) MAPTTP53POLBTDP1GAA
SCHEMBL1007657 0.76 LMNA (0.56) MAPTTP53POLBTDP1GAA
SCHEMBL963619 0.76 LMNA (0.53) MAPTTP53POLBTDP1GAA
SCHEMBL969360 0.70 SMN1; SMN2 (0.56) MAPTTP53POLBGAALMNA
SCHEMBL19420176 0.69 MAPT (0.70) MAPTTP53POLBGAALMNA
SCHEMBL12947374 0.67 MAPT (0.52) MAPTTP53POLBGAALMNA
SCHEMBL10327053 0.67 MAPT (0.55) MAPTTP53POLBGAALMNA
SCHEMBL963620 0.66 LMNA (0.52) MAPTTP53POLBGAALMNA
SCHEMBL10327149 0.66 LMNA (0.53) MAPTTP53POLBGAALMNA
SCHEMBL966308 0.66 MAPT (0.51) MAPTTP53POLBGAALMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885TP53 1327/4885POLB 1908/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885TP53 1327/4885POLB 1908/4885

“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.

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