SCHEMBL965696

SCHEMBL965696

CSc1nc(N)nc(SCC(=O)Nc2nc3ccccc3s2)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.70
▸ RAB9A P51151 9/20 0.70
▸ MEN1 O00255 8/20 0.70
▸ ALDH1A1 P00352 7/20 0.70
▸ SMN1; SMN2 Q16637 6/20 0.70
▸ HPGD P15428 6/20 0.70
▸ KDM4E B2RXH2 4/20 0.70
▸ LMNA P02545 6/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ USP2 O75604 2/20 0.64
▸ PKM P14618 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ MAPT P10636 8/20 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
SCHEMBL12947019 0.80 ALDH1A1 (0.67) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL963516 0.78 RAB9A (0.68) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL967715 0.78 MEN1 (0.65) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL967840 0.78 ALDH1A1 (0.65) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL966863 0.77 ALDH1A1 (0.66) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL963515 0.76 ALDH1A1 (1.00) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24846273 0.75 ENPP1 (0.68) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL965666 0.74 HPGD (0.79) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12947031 0.74 MEN1 (0.66) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL966942 0.73 MEN1 (0.65) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2

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 16 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-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 KMT2A 3420/4885RAB9A 1523/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885RAB9A 1523/4885MEN1 4049/4885

“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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