SCHEMBL3020488

SCHEMBL3020488

Cc1ccc(-c2ccc(Nc3cc(N)nn4cc([C@H]5CC[C@H](N)CC5)nc34)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
PKM P14618 6/20 0.32
GAA P10253 4/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PBRM1 Q86U86 1/20 0.32
PKLR P30613 5/20 0.31
GPR4 P46093 1/20 0.31
TP53 P04637 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
THRB P10828 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
FPR1 P21462 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3017891 0.88 MAPT (0.40) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3012712 0.86 MAPT (0.42) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL3021675 0.86 MAPT (0.42) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL3011161 0.84 SRC (0.36) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL3015971 0.84 MAPT (0.40) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3012125 0.83 BACE1 (0.36) CCNE1CDK2
SCHEMBL3026769 0.83 SYK (0.37) ADORA2A
SCHEMBL3011344 0.83 NPC1 (0.39) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3017866 0.82 DHODH (0.34) GAAMAPTALDH1A1KMT2ATP53
SCHEMBL3027051 0.82 DHODH (0.34) GAAMAPTALDH1A1KMT2ATP53

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 11 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-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 ADORA2A 1457/4885PKM 483/4885GAA 4514/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 ADORA2A 2519/4885PKM 2825/4885GAA 3346/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ADORA2A 1448/4885PKM 427/4885GAA 4445/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA2A 2519/4885PKM 2825/4885GAA 3346/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ADORA2A 1518/4885PKM 469/4885GAA 4483/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA2A 2519/4885PKM 2825/4885GAA 3346/4885

“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.