SCHEMBL3023975

SCHEMBL3023975

Cc1cccc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
RIPK2 O43353 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
DRD4 P21917 4/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
KDR P35968 3/20 0.35
SYK P43405 1/20 0.34
PTK2 Q05397 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3025191 0.90 KDR (0.38) EGFRERBB2RAPGEF4KDRSYK
SCHEMBL3014763 0.88 IDO1 (0.38) EGFRERBB2SYKCCNE1CDK2
SCHEMBL3026274 0.88 EGFR (0.40) EGFRERBB2RIPK2SYKCCNE1
SCHEMBL3028225 0.88 EGFR (0.40) EGFRERBB2RIPK2RAPGEF4SYK
SCHEMBL3018600 0.88 TDO2 (0.35) EGFRCCNE1CDK2FLT3
SCHEMBL3012714 0.88 CCNE1 (0.38) EGFRERBB2RIPK2RAPGEF4CCNE1
SCHEMBL3021677 0.88 CCNE1 (0.38) EGFRERBB2RIPK2RAPGEF4CCNE1
SCHEMBL3533525 0.87 PTK2 (0.37) EGFRERBB2RIPK2DRD4KDR
SCHEMBL3010262 0.87 CDK1 (0.41) EGFRRAPGEF4KDRSYKPTK2
SCHEMBL3017753 0.87 RAPGEF4 (0.39) RAPGEF4DRD4DRD2DRD3SYK

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-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
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 EGFR 406/4885ERBB2 68/4885RIPK2 454/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885RIPK2 680/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 EGFR 492/4885ERBB2 91/4885RIPK2 451/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885RIPK2 680/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 EGFR 381/4885ERBB2 73/4885RIPK2 490/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885RIPK2 680/4885

“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.