SCHEMBL967715

SCHEMBL967715

CSc1nc(N)nc(SCC(=O)Nc2nc(C)cs2)c1C#N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.65
▸ KMT2A Q03164 8/20 0.65
▸ MAPT P10636 6/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ LMNA P02545 5/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ NPSR1 Q6W5P4 4/20 0.65
▸ STAT6 P42226 2/20 0.65
▸ ALDH1A1 P00352 6/20 0.62
▸ HPGD P15428 3/20 0.62
▸ PKM P14618 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ THRB P10828 1/20 0.58

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
SCHEMBL963516 0.83 RAB9A (0.68) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL966863 0.78 ALDH1A1 (0.66) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL965696 0.78 KMT2A (0.70) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL963515 0.77 ALDH1A1 (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12947019 0.77 ALDH1A1 (0.67) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL967840 0.75 ALDH1A1 (0.65) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL965569 0.74 ALDH1A1 (0.73) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3459968 0.74 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL965666 0.73 HPGD (0.79) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10327475 0.73 HPGD (0.69) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800216-B2 — — 2011-10-26 — — JP claimed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 — — EP claimed
JP-2007527413-A — — 2007-09-27 — — JP claimed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 — — EP claimed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 — — WO 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-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 MEN1 4049/4885KMT2A 3420/4885MAPT 3812/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MEN1 4049/4885KMT2A 3420/4885MAPT 3812/4885

“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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