SCHEMBL3023974

SCHEMBL3023974

Cc1cccc(Nc2cc(N)nn3cc([C@H]4CC[C@H](N)CC4)nc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.38
ERBB2 P04626 1/20 0.38
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.34
DRD4 P21917 3/20 0.34
DRD2 P14416 2/20 0.34
SRC P12931 1/20 0.34
RIPK2 O43353 1/20 0.34
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL3025188 0.89 SRC (0.32) MAPTSRCSMN1; SMN2RAB9AALDH1A1
SCHEMBL3021675 0.89 MAPT (0.42) EGFRERBB2KCNJ6KCNJ3PIK3CD
SCHEMBL3012712 0.89 MAPT (0.42) EGFRERBB2KCNJ6KCNJ3PIK3CD
SCHEMBL3023110 0.88 SRC (0.43) EGFRERBB2MAPTSRCMEN1
SCHEMBL3006895 0.88 SRC (0.43) EGFRERBB2MAPTSRCMEN1
SCHEMBL3018102 0.88 SRC (0.43) EGFRERBB2MAPTSRCMEN1
SCHEMBL3028220 0.88 CDK1 (0.39) EGFRERBB2KCNJ6KCNJ3MAPT
SCHEMBL3026270 0.88 CDK1 (0.39) EGFRERBB2KCNJ6KCNJ3MAPT
SCHEMBL3018598 0.88 EGFR (0.34) EGFRSRC
SCHEMBL3010260 0.87 PDE4B (0.44) EGFRMAPTTDP1HTTMEN1

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 68/4885KCNJ6 1933/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885KCNJ6 2149/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 EGFR 492/4885ERBB2 91/4885KCNJ6 854/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885KCNJ6 2149/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 EGFR 381/4885ERBB2 73/4885KCNJ6 920/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 EGFR 3674/4885ERBB2 2570/4885KCNJ6 2149/4885

“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.