SCHEMBL3329419

SCHEMBL3329419

O=C(Nc1ccc(S)cc1F)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 3/20 0.53
GAA P10253 3/20 0.53
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL24251873 0.83 KMT2A (0.71) KMT2AMEN1GAATP53POLB
SCHEMBL14532074 0.81 KMT2A (0.68) KMT2AMEN1GAATP53POLB
SCHEMBL3332514 0.81 KMT2A (0.68) KMT2AMEN1GAATP53POLB
SCHEMBL15594368 0.81 KMT2A (0.68) KMT2AMEN1GAATP53POLB
SCHEMBL13299681 0.79 KMT2A (0.66) KMT2AMEN1GAATP53POLB
SCHEMBL4744831 0.76 SMN1; SMN2 (0.67) KMT2AMEN1GAAPOLBTSHR
SCHEMBL25845880 0.74 HDAC3 (0.60) KMT2AMEN1GAATP53POLB
SCHEMBL20460483 0.74 KMT2A (0.58) KMT2AMEN1GAATP53POLB
SCHEMBL20460484 0.74 KMT2A (0.74) KMT2AMEN1GAATP53TSHR
SCHEMBL30082388 0.72 KMT2A (0.56) KMT2AMEN1GAATP53POLB

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
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
EP-2142537-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-13 EP disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO 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-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB KMT2A 773/4885MEN1 1554/4885GAA 1528/4885

“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.