SCHEMBL3461179

SCHEMBL3461179

[CH2]c1cc(NC)nc(SC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ TP53 P04637 2/20 0.33

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
SCHEMBL10878260 0.87 MEN1 (0.43) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL3461180 0.79 KMT2A (0.59) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL12781970 0.78 MEN1 (0.41) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL9413801 0.78 MEN1 (0.41) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL2614898 0.78 KMT2A (0.57) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL3459282 0.73 SMN1; SMN2 (0.51) MEN1KMT2ANOS2LMNAKDM4E
SCHEMBL16302718 0.72 ADORA3 (0.57) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL12859522 0.71 NUDT1 (0.64) KMT2ALMNAKDM4ESMN1; SMN2HTT
SCHEMBL5914036 0.67 MEN1 (0.51) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL19686555 0.63 KMT2A (0.54) MEN1KMT2AKDM4EGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4049/4885KMT2A 3420/4885NOS3 2315/4885

“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.

Send feedback