Sugi Predict

Sugi Predict / Compounds / SCHEMBL3010260

SCHEMBL3010260

SCHEMBL3010260

COc1cccc(Nc2cc(N)nn3cc([C@H]4CC[C@H](N)CC4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.44
▸ CDK1 P06493 1/20 0.42
▸ ROCK1 Q13464 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ USP2 O75604 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ EGFR P00533 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
SCHEMBL3525554 0.91 ROCK2 (0.36) PDE4BCDK1ROCK1
SCHEMBL3532894 0.90 SRC (0.40) PDE4BMAPTEGFRCCNE1CDK2
SCHEMBL3024391 0.90 MAPKAPK2 (0.46) PDE4BCDK1MERTKTSHRKMT2A
SCHEMBL3528525 0.90 SIRT2 (0.40) PDE4BCDK1ABCB1ABCG2
SCHEMBL3023055 0.89 MAPK8 (0.38) MERTKKMT2AGAAMEN1MAPT
SCHEMBL3529131 0.88 PIM1 (0.40) CYP3A4CYP2C9
SCHEMBL3023974 0.87 EGFR (0.38) KMT2AMEN1MAPTMAPK1RAB9A
SCHEMBL3006895 0.86 SRC (0.43) CDK1KMT2AGAAMEN1MAPT
SCHEMBL3023110 0.86 SRC (0.43) CDK1KMT2AGAAMEN1MAPT
SCHEMBL3018102 0.86 SRC (0.43) CDK1KMT2AGAAMEN1MAPT

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 14 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-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 — — 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
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 — — US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 — — US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 — — US disclosed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
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 (6 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 PDE4B 1463/4885CDK1 86/4885ROCK1 379/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PDE4B 2776/4885CDK1 142/4885ROCK1 1014/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 PDE4B 1304/4885CDK1 63/4885ROCK1 390/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDE4B 2776/4885CDK1 142/4885ROCK1 1014/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 PDE4B 1335/4885CDK1 105/4885ROCK1 516/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDE4B 2776/4885CDK1 142/4885ROCK1 1014/4885

“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.