SCHEMBL3459968

SCHEMBL3459968

CSc1nc(N)nc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ HPGD P15428 4/20 0.68
▸ LMNA P02545 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ PKM P14618 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ ALDH1A1 P00352 7/20 0.67
▸ NPSR1 Q6W5P4 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ MAPT P10636 9/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53

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
SCHEMBL964265 0.90 KMT2A (0.78) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL10327510 0.90 LMNA (0.55) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL10327553 0.86 LMNA (0.49) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL967842 0.85 ALDH1A1 (0.63) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL964843 0.84 HPGD (0.72) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL10327475 0.84 HPGD (0.69) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL965700 0.84 KMT2A (0.61) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL962829 0.84 MEN1 (0.60) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL10327426 0.84 HPGD (0.68) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL10327559 0.83 HPGD (0.67) MEN1KMT2AHPGDLMNASMN1; 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 11 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-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-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 MEN1 4049/4885KMT2A 3420/4885HPGD 2836/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MEN1 4049/4885KMT2A 3420/4885HPGD 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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