Sugi Predict

Sugi Predict / Compounds / SCHEMBL4576416

SCHEMBL4576416

SCHEMBL4576416

Nc1cc(Nc2ccc(OCc3ccccc3)cc2)c2nc([C@H]3CC[C@H](N)CC3)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ MERTK Q12866 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ EGFR P00533 4/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ TTBK1 Q5TCY1 1/20 0.37
▸ TTBK2 Q6IQ55 1/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ ERBB2 P04626 3/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ MKNK2 Q9HBH9 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
SCHEMBL3531140 0.91 MAPKAPK2 (0.47) MAPKAPK2SIRT2MAOBCTSVCTSL
SCHEMBL3012729 0.88 SCN5A (0.38) TTBK1TTBK2ERBB2BTKSYK
SCHEMBL3527290 0.88 SCN5A (0.38) TTBK1TTBK2ERBB2BTKSYK
SCHEMBL3532085 0.88 SRC (0.37) MAPKAPK2MERTKEGFRFLT3SYK
SCHEMBL3022919 0.87 MAPKAPK2 (0.42) MAPKAPK2MERTKMEN1NPC1MAPT
SCHEMBL3531563 0.87 MAPKAPK2 (0.42) MAPKAPK2MERTKMEN1NPC1MAPT
SCHEMBL3025343 0.87 MAPKAPK2 (0.42) MAPKAPK2MERTKMEN1NPC1MAPT
SCHEMBL3023110 0.87 SRC (0.43) MAPKAPK2EGFRERBB2FLT3MEN1
SCHEMBL3018102 0.87 SRC (0.43) MAPKAPK2EGFRERBB2FLT3MEN1
SCHEMBL3006895 0.87 SRC (0.43) MAPKAPK2EGFRERBB2FLT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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 (2 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 MAPKAPK2 25/4885SIRT2 620/4885MERTK 583/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885SIRT2 1055/4885MERTK 629/4885

“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.