SCHEMBL3459290

SCHEMBL3459290

CSc1nc(N)nc(N(CC(=O)O)NC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LCK P06239 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13110094 0.91 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL964156 0.88 MEN1 (0.49) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL10327152 0.87 KMT2A (0.45) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL963909 0.86 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL963935 0.84 KMT2A (0.55) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL963343 0.82 KMT2A (0.50) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL10327331 0.80 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL10327078 0.80 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL12947378 0.79 KMT2A (0.48) KMT2ASMN1; SMN2MEN1HPGDPKM
SCHEMBL964493 0.79 ALDH1A1 (0.51) KMT2ASMN1; SMN2MEN1HPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — 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-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

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