SCHEMBL968560

SCHEMBL968560

CSc1nc(N)nc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NTRK1 P04629 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 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
SCHEMBL10327048 0.90 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL965888 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL967015 0.85 KMT2A (0.56) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL966073 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL966931 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL969360 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL963700 0.77 KMT2A (0.54) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL966142 0.76 MEN1 (0.54) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL12947374 0.75 MAPT (0.52) SMN1; SMN2KMT2AMAPTGAANPSR1
SCHEMBL10327506 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPTGAA

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 SMN1; SMN2 2850/4885MEN1 4049/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MEN1 4049/4885KMT2A 3420/4885

“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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