SCHEMBL966976

SCHEMBL966976

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 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
SCHEMBL965944 0.86 KMT2A (0.44) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL963539 0.86 MAPK8 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3459112 0.77 HPGD (0.46) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL10180839 0.77 KMT2A (0.53) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL966093 0.76 KMT2A (0.44) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL965942 0.76 KMT2A (0.49) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL964364 0.75 KMT2A (0.45) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL10181157 0.75 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL10180464 0.75 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HPGDPKM
SCHEMBL3459382 0.75 HPGD (0.44) KMT2AMEN1SMN1; SMN2HPGDPKM

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 4 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-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 3420/4885MEN1 4049/4885SMN1; SMN2 2850/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885MEN1 4049/4885SMN1; SMN2 2850/4885

“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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