SCHEMBL5016200

SCHEMBL5016200

CNC(=S)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL82344 0.85 HDAC1 (0.35) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5016201 0.81 L3MBTL1 (0.42) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL83768 0.81 NPSR1 (0.36) LMNAL3MBTL1MEN1KMT2AHDAC1
SCHEMBL5014878 0.79 HDAC6 (0.34) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5015654 0.79 MEN1 (0.34) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5014071 0.79 NPSR1 (0.34) L3MBTL1MEN1KMT2AHDAC1HDAC6
SCHEMBL83292 0.78 GSK3A (0.36) SMN1; SMN2HDAC1HDAC6CCNE2CCNE1
SCHEMBL5028848 0.78 JAK2 (0.38) SMN1; SMN2HDAC1HDAC6CCNE2CCNE1
SCHEMBL83895 0.77 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL5027073 0.76 CCNE2 (0.35) HDAC1HDAC6CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 LMNA 4459/4885L3MBTL1 4035/4885MEN1 3129/4885

“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.