SCHEMBL3525966

SCHEMBL3525966

CCOc1ccc(Nc2c3ncc(F)n3nc(N)c2[C@H]2CC[C@H](N)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.42
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FLT3 P36888 2/20 0.35
SYK P43405 2/20 0.35
MERTK Q12866 1/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE9A O76083 2/20 0.34
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 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
SCHEMBL3024920 1.00 MAPKAPK2 (0.42) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3528712 0.90 MAPKAPK2 (0.44) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3024426 0.90 MAPKAPK2 (0.44) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3021996 0.89 MAPKAPK2 (0.42) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3006127 0.83 MAPKAPK2 (0.46) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3527569 0.83 MAPKAPK2 (0.46) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3023753 0.82 MAPKAPK2 (0.43) MAPKAPK2POLBLMNATSHRSMN1; SMN2
SCHEMBL3022921 0.81 MAPKAPK2 (0.43) MAPKAPK2POLBTSHRFLT3SYK
SCHEMBL3021787 0.81 MAPKAPK2 (0.43) MAPKAPK2POLBTSHRFLT3SYK
SCHEMBL3531569 0.81 MAPKAPK2 (0.43) MAPKAPK2POLBTSHRFLT3SYK

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 MAPKAPK2 25/4885POLB 4266/4885LMNA 4763/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 MAPKAPK2 964/4885POLB 1170/4885LMNA 1390/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPKAPK2 964/4885POLB 1170/4885LMNA 1390/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885POLB 4076/4885LMNA 4523/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 MAPKAPK2 964/4885POLB 1170/4885LMNA 1390/4885

“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.