SCHEMBL5075207

SCHEMBL5075207

CC(Nc1cc(-c2ccccc2)nc(Cl)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.43
ADORA2A P29274 7/20 0.43
ADORA3 P0DMS8 6/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2B P29275 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
FPR2 P25090 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL14238612 1.00 ADORA1 (0.43) ADORA1ADORA2AADORA3MEN1KMT2A
SCHEMBL14236364 0.86 ADORA1 (0.48) ADORA1ADORA2AADORA3MEN1KMT2A
SCHEMBL5635889 0.83 ATF1 (0.39) ALDH1A1SMN1; SMN2SCN9AKDM4ETBK1
SCHEMBL5078770 0.83 ATF1 (0.39) ALDH1A1SMN1; SMN2SCN9AKDM4ETBK1
SCHEMBL1719342 0.77 LOXL2 (0.39) ADORA2AALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL1719347 0.77 LOXL2 (0.39) ADORA2AALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL5074726 0.76 JAK3 (0.40) ADORA1ADORA2AADORA3TBK1
SCHEMBL5077837 0.76 JAK3 (0.40) ADORA1ADORA2AADORA3TBK1
SCHEMBL14236637 0.75 S1PR2 (0.36) SCN9AKDM4ETBK1FPR2
SCHEMBL14853836 0.75 TBK1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2KDM4ETBK1

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-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

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 ADORA1 2488/4885ADORA2A 1467/4885ADORA3 2064/4885

“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.