SCHEMBL5136692

SCHEMBL5136692

C[C@H](Nc1ncnc(Cl)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 1/20 0.33
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MKNK2 Q9HBH9 5/20 0.32
PIK3R2 O00459 1/20 0.31
PKM P14618 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL5136694 1.00 TBK1 (0.36) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL5137510 1.00 TBK1 (0.36) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL5136956 0.85 GAA (0.40) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL5074950 0.80 TBK1 (0.37) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL5635121 0.80 TBK1 (0.37) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL1719342 0.79 LOXL2 (0.39) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL1719347 0.79 LOXL2 (0.39) TBK1KDM4EGAAADORA2AIDO1
SCHEMBL1718911 0.78 ALDH1A1 (0.39) TBK1KDM4EGAAIDO1SMN1; SMN2
SCHEMBL1718915 0.78 ALDH1A1 (0.39) TBK1KDM4EGAAIDO1SMN1; SMN2
SCHEMBL2630128 0.75 JAK2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
EP-1931674-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmceuticals Incorporated (US) 2008-06-18 EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 TBK1 582/4885KDM4E 544/4885GAA 1749/4885

“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.