SCHEMBL3420044

SCHEMBL3420044

COC(=O)C1(c2ccc(Nc3cc(NC(C)(C)C)ncn3)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
EGFR P00533 8/20 0.39
ERBB3 P21860 7/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
P2RY1 P47900 1/20 0.38
CD274 Q9NZQ7 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL3268020 0.85 MAPT (0.36) KMT2ANPC1RAB9AP2RY1
SCHEMBL3418294 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9A
SCHEMBL3261030 0.79 P2RY1 (0.39) MEN1KMT2ANPC1P2RY1
SCHEMBL3236168 0.76 AKT1 (0.40) NPC1RAB9AP2RY1
SCHEMBL3420991 0.76 HRH3 (0.33) MEN1KMT2AEGFRP2RY1
SCHEMBL3268108 0.76 MAPT (0.43) P2RY1
SCHEMBL3229585 0.74 SYK (0.40) P2RY1
SCHEMBL13570421 0.73 MEN1 (0.79) MEN1KMT2AEGFRERBB3NPC1
SCHEMBL3415491 0.72 CYP1A2 (0.36) MEN1KMT2AP2RY1
SCHEMBL3262310 0.71 ABCG2 (0.43) MEN1KMT2ANPC1RAB9A

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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 MEN1 1320/4885KMT2A 739/4885EGFR 2565/4885

“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.