SCHEMBL4254231

SCHEMBL4254231

CC1CNCCN1c1cnc(N)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.46
LMNA P02545 1/20 0.45
LATS1 O95835 1/20 0.43
ADORA1 P30542 6/20 0.39
ADORA2A P29274 4/20 0.39
HTR2C P28335 2/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39

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
SCHEMBL4043685 0.80 HTR2C (0.40) DHFRLATS1ADORA1ADORA2AHTR2C
SCHEMBL4252649 0.79 CHUK (0.46) LATS1ADORA1ADORA2AHTR2C
SCHEMBL4560012 0.78 DHFR (0.52) DHFRLMNAADORA1ADORA2A
SCHEMBL3433512 0.73 CHRNB2 (0.51) LMNA
SCHEMBL4302053 0.73 ALDH1A1 (0.43) LATS1ADORA2AHTR2C
SCHEMBL4043686 0.72 DHFR (0.41) DHFRLATS1HTR2C
SCHEMBL24375329 0.72 ALOX5AP (0.41) LATS1HTR2CALOX5APFEN1
SCHEMBL28855356 0.72 ALOX5AP (0.41) LATS1HTR2CALOX5APFEN1
SCHEMBL6329724 0.72 ALDH1A1 (0.64) LMNALATS1HTR2C
SCHEMBL5787049 0.72 ALDH1A1 (0.64) LMNALATS1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 DHFR 2912/4885LMNA 206/4885LATS1 3711/4885

“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.