SCHEMBL3532976

SCHEMBL3532976

Nc1nn2ccnc2c(NCc2ccccc2Cl)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAP4K4 O95819 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
P2RX7 Q99572 1/20 0.33
PDE2A O00408 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3017561 0.86 JAK2 (0.43) BACE1FLT3
SCHEMBL14686279 0.85 ADORA3 (0.39) ADORA3ADORA2AKDM4EMAP4K4PKM
SCHEMBL3526588 0.84 JAK2 (0.44) ADORA3ADORA2AKDM4EMAP4K4NTRK1
SCHEMBL3020341 0.84 CDK2 (0.40) IGF1RDPP4FLT3
SCHEMBL4576390 0.83 FLT3 (0.45) ADORA3MAP4K4IGF1RACHEBACE1
SCHEMBL3115298 0.80 AXL (0.40) ADORA3ADORA2AKDM4EACHEFLT3
SCHEMBL3018988 0.80 PTK2 (0.35) MEN1KMT2AFLT3
SCHEMBL3013662 0.80 CCNE1 (0.31) FLT3
SCHEMBL3024560 0.79 PAK4 (0.36) ADORA2AFLT3
SCHEMBL3023111 0.78 CDK2 (0.37) FLT3

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ADORA3 1451/4885ADORA2A 1457/4885KDM4E 853/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA2A 2519/4885KDM4E 3218/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA2A 2519/4885KDM4E 3218/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ADORA3 1424/4885ADORA2A 1518/4885KDM4E 1158/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ADORA3 2588/4885ADORA2A 2519/4885KDM4E 3218/4885

“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.