SCHEMBL4180912

SCHEMBL4180912

CSc1ncc2cc(-c3ccccc3F)c(=O)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SIK2 Q9H0K1 1/20 0.39
NPC1 O15118 3/20 0.38
SRC P12931 2/20 0.37
BTK Q06187 2/20 0.37
LYN P07948 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RAB9A P51151 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL4138092 0.86 SIK2 (0.41) MEN1KMT2ASIK2NPC1SRC
SCHEMBL29536534 0.85 SIK2 (0.47) MEN1KMT2ASIK2NPC1MAPT
SCHEMBL4414517 0.85 MEN1 (0.40) MEN1KMT2ASIK2MAPTRXFP1
SCHEMBL14370847 0.85 SIK2 (0.47) MEN1KMT2ASIK2NPC1MAPT
SCHEMBL19817053 0.84 MEN1 (0.42) MEN1KMT2ASIK2MAPT
SCHEMBL20564939 0.83 MEN1 (0.51) MEN1KMT2ASIK2SRCLYN
SCHEMBL6073545 0.81 HPGD (0.40) MEN1KMT2ANPC1MAPTRXFP1
SCHEMBL5065304 0.79 SIK2 (0.36) MEN1KMT2ASIK2NPC1MAPT
SCHEMBL29536840 0.78 FGFR1 (0.45) MEN1KMT2ASIK2SRCBTK
SCHEMBL5659394 0.78 FGFR1 (0.45) MEN1KMT2ASIK2SRCBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 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 (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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 MEN1 3606/4885KMT2A 3825/4885ADORA2A 580/4885

“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.