SCHEMBL3526588

SCHEMBL3526588

Nc1nn2ccnc2c(NCc2ccc(Cl)cc2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
JAK3 P52333 4/20 0.44
FLT3 P36888 2/20 0.41
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CCNT1 O60563 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE8B O95263 1/20 0.33
NTRK1 P04629 1/20 0.32
IGF1R P08069 1/20 0.32
PTK2 Q05397 1/20 0.32
MAP4K4 O95819 2/20 0.32
ALDH1A1 P00352 1/20 0.32
APP P05067 1/20 0.32
CHEK1 O14757 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 0.90 JAK2 (0.43) JAK2JAK3FLT3CCNE2CCNA2
SCHEMBL4576390 0.88 FLT3 (0.45) JAK2JAK3FLT3CCNE1CDK2
SCHEMBL3024622 0.87 AXL (0.41) KDM4EIGF1RAPP
SCHEMBL3026217 0.84 CCNE1 (0.38) JAK2JAK3FLT3CCNE1CDK2
SCHEMBL3532976 0.84 ADORA3 (0.35) FLT3ADORA3ADORA2AKDM4ENTRK1
SCHEMBL3015972 0.82 CCNE1 (0.36) JAK2JAK3FLT3CCNE1CDK2
SCHEMBL3013662 0.82 CCNE1 (0.31) FLT3CCNE1CDK2
SCHEMBL3024560 0.81 PAK4 (0.36) FLT3CCNE2CCNE1CDK2ADORA2A
SCHEMBL3024214 0.80 AXL (0.33)
SCHEMBL3115298 0.80 AXL (0.40) JAK2JAK3FLT3CCNE2CCNA2

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 7 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
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

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 JAK2 228/4885JAK3 100/4885FLT3 155/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 JAK2 1554/4885JAK3 852/4885FLT3 3630/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 JAK2 1554/4885JAK3 852/4885FLT3 3630/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 JAK2 212/4885JAK3 120/4885FLT3 334/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 JAK2 1554/4885JAK3 852/4885FLT3 3630/4885

“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.