SCHEMBL3329656

SCHEMBL3329656

O=C(CCC(F)(F)F)Nc1ccc(S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
RORC P51449 1/20 0.49
TP53 P04637 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR1 O75376 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A1 P04798 1/20 0.43
MLYCD O95822 1/20 0.42
POLB P06746 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
SCHEMBL61366 0.84 MEN1 (0.50) NAMPTCA1CA2POLBMEN1
SCHEMBL11712354 0.82 KMT2A (0.63) NAMPTRORCTP53HDAC6HDAC8
SCHEMBL3641546 0.81 HDAC4 (0.63) NAMPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL693849 0.80 NAMPT (0.52) NAMPTRORCTP53HDAC3HDAC1
SCHEMBL20942371 0.79 POLB (0.55) NAMPTRORCHDAC1HDAC6HDAC7
SCHEMBL7155100 0.78 CYP1A1 (0.70) TP53CA1CA2CYP1A1POLB
SCHEMBL21262936 0.78 TERT (0.56) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL6008352 0.78 TP53 (0.72) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL11712713 0.77 MEN1 (0.58) NAMPTMEN1HTTKMT2A
SCHEMBL21788779 0.75 POLB (0.70) HDAC3HDAC1HDAC2HDAC6HDAC4

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 3 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
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

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 NAMPT 1029/4885RORC 2756/4885TP53 306/4885

“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.