SCHEMBL77128

SCHEMBL77128

CNc1nc(SC)nc(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA7 P43166 5/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
CA13 Q8N1Q1 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
ABCB1 P08183 1/20 0.33
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL11198552 0.82 HTT (0.46) HTTLMNAKDM4ESMN1; SMN2CA1
SCHEMBL75623 0.80 PDE10A (0.41) HTTLMNASMN1; SMN2KMT2ACYP1A2
SCHEMBL21274437 0.78 HTT (0.44) HTTLMNAKDM4ESMN1; SMN2CA1
SCHEMBL6671499 0.76 ABCB1 (0.47) HTTLMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL25207733 0.74 CA1 (0.56) HTTLMNAKDM4ESMN1; SMN2CA1
SCHEMBL30924263 0.74 CA1 (0.56) HTTLMNAKDM4ESMN1; SMN2CA1
SCHEMBL12303154 0.74 PDK2 (0.36)
SCHEMBL12712135 0.74 KMT2A (0.38) HTTLMNASMN1; SMN2KMT2ACYP1A2
SCHEMBL5418906 0.72 MEN1 (0.49) HTTLMNAKDM4ESMN1; SMN2CA1
SCHEMBL15868909 0.72 HTT (0.39) HTTLMNAKDM4ESMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8557833-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-15 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110020469-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7820685-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-16 US disclosed
US-7528142-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
US-20080032963-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-07 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-20070179125-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (8 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 HTT 1997/4885LMNA 3688/4885KDM4E 825/4885
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 HTT 1887/4885LMNA 3681/4885KDM4E 833/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 HTT 1997/4885LMNA 3688/4885KDM4E 825/4885
US-20110020469-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB HTT 2296/4885LMNA 2637/4885KDM4E 754/4885
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 HTT 1997/4885LMNA 3688/4885KDM4E 825/4885
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 HTT 1997/4885LMNA 3688/4885KDM4E 825/4885
US-20080032963-A1 Aminopyrimidines useful as kinase inhibitors AURKC, AURKA, AURKB HTT 2296/4885LMNA 2637/4885KDM4E 754/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 HTT 1997/4885LMNA 3688/4885KDM4E 825/4885

“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.