SCHEMBL964142

SCHEMBL964142

CSc1nc(N)nc([C@@](CCCN)(Nc2cccc(C(F)(F)F)c2)C(N)=O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38

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
SCHEMBL967747 0.98 KMT2A (0.44) KMT2AHPGDMEN1PKMLMNA
SCHEMBL966974 0.90 KMT2A (0.44) KMT2AHPGDMEN1PKMLMNA
SCHEMBL966063 0.89 KMT2A (0.37) KMT2AHPGDMEN1PKMLMNA
SCHEMBL964844 0.88 KMT2A (0.45) KMT2AHPGDMEN1PKMLMNA
SCHEMBL10180611 0.87 TRPV4 (0.46) KMT2AHPGDMEN1PKMLMNA
SCHEMBL5568821 0.85 MAPK8 (0.40) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL966975 0.85 KMT2A (0.44) KMT2AHPGDMEN1PKMLMNA
SCHEMBL964139 0.84 KMT2A (0.48) KMT2AHPGDMEN1PKMLMNA
SCHEMBL1010112 0.83 KMT2A (0.41) KMT2AHPGDMEN1PKMLMNA
SCHEMBL964167 0.83 MAPK8 (0.39) KMT2AMEN1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
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-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 3420/4885HPGD 2836/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885HPGD 2836/4885MEN1 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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