SCHEMBL1012121

SCHEMBL1012121

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ TP53 P04637 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ALOX12 P18054 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL964139 0.90 KMT2A (0.48) KMT2AMEN1HPGDLMNAPKM
SCHEMBL967745 0.89 KMT2A (0.47) KMT2AMEN1HPGDLMNAPKM
SCHEMBL1010086 0.87 KMT2A (0.48) KMT2AMEN1HPGDLMNAPKM
SCHEMBL10180610 0.85 TRPV4 (0.49) KMT2AMEN1HPGDLMNAPKM
SCHEMBL964841 0.84 KMT2A (0.49) KMT2AMEN1HPGDLMNAPKM
SCHEMBL965594 0.84 KMT2A (0.43) KMT2AMEN1HPGDLMNAPKM
SCHEMBL10180940 0.82 TRPV4 (0.45) KMT2AMEN1HPGDLMNAPKM
SCHEMBL1010111 0.80 KMT2A (0.45) KMT2AMEN1HPGDLMNAPKM
SCHEMBL966062 0.80 MAPT (0.40) KMT2AMEN1HPGDLMNAPKM
SCHEMBL12946908 0.80 SMN1; SMN2 (0.44) KMT2AMEN1HPGDLMNAPKM

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 1 patent. 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 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 (1 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 3420/4885MEN1 4049/4885HPGD 2836/4885

“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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