Sugi Predict

Sugi Predict / Compounds / SCHEMBL2205804

SCHEMBL2205804

SCHEMBL2205804

CC(C)(C)OC(=O)N1CCNC(c2nc(Cl)nc3c2CCCN3)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 2/20 0.35
▸ ITGB6 P18564 2/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PARP1 P09874 5/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31

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
SCHEMBL8340940 0.76 GBA1 (0.41) MEN1KMT2APOLB
SCHEMBL31223989 0.71 KDM4E (0.39) MAPK1MEN1KMT2AMAPTPOLB
SCHEMBL38661093 0.69 MAPK1 (0.45) MAPK1GPR119
SCHEMBL3318358 0.69 MEN1 (0.49) MAPK1MEN1KMT2A
SCHEMBL23981987 0.68 GPR119 (0.42) MAPK1POLBGPR119
SCHEMBL30397109 0.68 GPR119 (0.42) MAPK1POLBGPR119
SCHEMBL22984913 0.68 MAPK1 (0.43) MAPK1MAPTGPR119
SCHEMBL31224108 0.67 IDO1 (0.38) MAPK1MEN1KMT2AMAPTPOLB
SCHEMBL31224624 0.67 IDO1 (0.38) MAPK1MEN1KMT2AMAPTPOLB
SCHEMBL31224284 0.67 IDO1 (0.38) MAPK1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-20040142945-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — 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 (3 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S ITGAV 2663/4885ITGB6 2547/4885MAPK1 1563/4885
US-20040142945-A1 Fused heterocyclic compounds and use thereof MCL1, NFATC1, BCR ITGAV 2653/4885ITGB6 2916/4885MAPK1 1107/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R ITGAV 2975/4885ITGB6 2908/4885MAPK1 1206/4885

“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.