SCHEMBL4242740

SCHEMBL4242740

N#Cc1ccc(-c2n[nH]cc2C(c2ccc(C(F)(F)F)cn2)(N2CCCCCC2)N2CCCCCC2)cc1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.33
GCKR Q14397 1/20 0.33
SMO Q99835 1/20 0.33
KDM5A P29375 2/20 0.33
SCN10A Q9Y5Y9 4/20 0.32
PARP1 P09874 1/20 0.32
BCHE P06276 1/20 0.31
LIPE Q05469 1/20 0.31
CCR6 P51684 3/20 0.31
CCR7 P32248 1/20 0.31
AR P10275 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 4/20 0.31
FPR2 P25090 1/20 0.30

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
SCHEMBL4253769 0.90 USP30 (0.36) SMOKDM5ASCN10ACCR6AR
SCHEMBL4250996 0.82 MAOB (0.43) KDM5ACCR6SCN9A
SCHEMBL3643233 0.77 KDM4E (0.37) BCHELIPECCR6
SCHEMBL4247115 0.76 SMO (0.44) SMOPARP1KMT2A
SCHEMBL4242734 0.75 SMO (0.42) SMOPARP1KMT2A
SCHEMBL2743992 0.74 DYRK1A (0.31)
SCHEMBL4253765 0.66 SMO (0.42) SMOARKMT2A
SCHEMBL11298329 0.64 TAS2R14 (0.50) PARP1ARKMT2A
SCHEMBL4248525 0.64 PARP1 (0.48) SMOPARP1KMT2A
SCHEMBL27915286 0.62 KMT2A (0.50) PARP1CCR6KMT2A

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 GCK 601/4885GCKR 503/4885SMO 1890/4885

“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.