SCHEMBL10180124

SCHEMBL10180124

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 5/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ CBLB Q13191 1/20 0.36

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
SCHEMBL12946855 0.88 NPC1 (0.40) HPGDLMNAMAPTALDH1A1POLB
SCHEMBL10327078 0.87 SMN1; SMN2 (0.48) MEN1KMT2AHPGDPKMLMNA
SCHEMBL12946926 0.85 MAPK8 (0.42) HSD17B10HTT
SCHEMBL12946841 0.85 MEN1 (0.48) MEN1KMT2AHPGDPKMLMNA
SCHEMBL12946949 0.84 MEN1 (0.50) MEN1KMT2AHPGDPKMLMNA
SCHEMBL10180469 0.84 MEN1 (0.41) MEN1KMT2AHPGDPKMLMNA
SCHEMBL12947032 0.81 ALDH1A1 (0.35) MEN1KMT2AHPGDPKMLMNA
SCHEMBL10327120 0.76 SMN1; SMN2 (0.42) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL10327289 0.74 MAPK8 (0.43) MEN1KMT2ASMN1; SMN2MAPTRXFP1
SCHEMBL10180187 0.73 PIK3CD (0.36) MEN1KMT2AHPGDPKMLMNA

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 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-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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