SCHEMBL10180403

SCHEMBL10180403

CSc1nc(N)nc(N[C@@H](C)C(=O)Nc2cc(N)cc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ HSD17B10 Q99714 3/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35

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
SCHEMBL10180407 0.93 MEN1 (0.40) MEN1KMT2AHPGDLMNAPKM
SCHEMBL10327387 0.92 MEN1 (0.40) MEN1KMT2AHPGDLMNAPKM
SCHEMBL964532 0.90 MEN1 (0.39) MEN1KMT2AHPGDLMNAPKM
SCHEMBL966978 0.89 MEN1 (0.38) MEN1KMT2AHPGDLMNAPKM
SCHEMBL964968 0.89 MEN1 (0.38) MEN1KMT2AHPGDLMNAPKM
SCHEMBL14421501 0.88 SMN1; SMN2 (0.49) MEN1KMT2AHPGDLMNAPKM
SCHEMBL10180462 0.88 SMN1; SMN2 (0.49) MEN1KMT2AHPGDLMNAPKM
SCHEMBL10181156 0.88 SMN1; SMN2 (0.49) MEN1KMT2AHPGDLMNAPKM
SCHEMBL12946846 0.85 MEN1 (0.42) MEN1KMT2AHPGDLMNAPKM
SCHEMBL3459838 0.85 MEN1 (0.37) MEN1KMT2AHPGDLMNAPKM

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
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-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

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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