SCHEMBL61366

SCHEMBL61366

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
F2R P25116 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL16341643 0.87 NPSR1 (0.40) MEN1KMT2AHTTNPSR1F2R
SCHEMBL3329656 0.84 NAMPT (0.55) MEN1KMT2AHTTNPSR1CA1
SCHEMBL27985505 0.83 GAA (0.59) MEN1KMT2AHTTNPSR1RAB9A
SCHEMBL8416763 0.83 CYP1A1 (0.55) MEN1KMT2AHTTNPSR1F2R
SCHEMBL1160797 0.81 MAPT (0.53) MEN1KMT2AHTTNPSR1F2R
SCHEMBL28535463 0.81 MEN1 (0.73) MEN1KMT2AHTTNPSR1RAB9A
SCHEMBL28535465 0.81 KMT2A (0.66) MEN1KMT2AHTTNPSR1F2R
SCHEMBL27985502 0.81 ALDH1A1 (0.53) MEN1KMT2AHTTNPSR1RAB9A
SCHEMBL3953245 0.81 MAPT (0.59) MEN1KMT2AHTTNPSR1F2R
SCHEMBL27985059 0.79 MAPT (0.57) MEN1KMT2AHTTNPSR1RAB9A

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 US disclosed
EP-2152696-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2014-09-24 EP disclosed
US-8785444-B2 Thiazoles and pyrazoles useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-22 US disclosed
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 US disclosed
US-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 US disclosed
US-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
EP-1948193-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2008-07-30 EP disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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 (5 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-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MEN1 1554/4885KMT2A 773/4885HTT 2296/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 MEN1 2799/4885KMT2A 913/4885HTT 1997/4885
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MEN1 1554/4885KMT2A 773/4885HTT 2296/4885
US-20140141099-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA MEN1 1110/4885KMT2A 687/4885HTT 3104/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 MEN1 2799/4885KMT2A 913/4885HTT 1997/4885

“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.