SCHEMBL3022656

SCHEMBL3022656

Nc1cc(Nc2ccc(-n3cccn3)cc2)c2nc([C@H]3CC[C@@H](N)CC3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.41
SYK P43405 2/20 0.36
NLRP3 Q96P20 2/20 0.35
BRD4 O60885 1/20 0.34
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
TNIK Q9UKE5 3/20 0.33
FLT3 P36888 1/20 0.33
CHEK2 O96017 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SRC P12931 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
CDK13 Q14004 1/20 0.31

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
SCHEMBL3009174 1.00 PDGFRA (0.41) PDGFRASYKNLRP3BRD4CCNE1
SCHEMBL3013546 0.87 SRC (0.33) PDGFRASYKCCNE1CDK2FLT3
SCHEMBL3010743 0.87 SRC (0.33) PDGFRASYKCCNE1CDK2FLT3
SCHEMBL3531182 0.85 PDGFRA (0.42) PDGFRASYKBRD4PDE10A
SCHEMBL3018526 0.84 CDK2 (0.36) CCNE1CDK2CDK1FLT3SRC
SCHEMBL3531102 0.84 LMNA (0.36) SYKCCNE1CDK2TNIKFLT3
SCHEMBL3023110 0.84 SRC (0.43) PDGFRACCNE1CDK2CDK1FLT3
SCHEMBL3011161 0.84 SRC (0.36) CCNE1CDK2FLT3SRC
SCHEMBL3006895 0.84 SRC (0.43) PDGFRACCNE1CDK2CDK1FLT3
SCHEMBL3018102 0.84 SRC (0.43) PDGFRACCNE1CDK2CDK1FLT3

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 10 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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 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 PDGFRA 854/4885SYK 605/4885NLRP3 4071/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PDGFRA 4611/4885SYK 1941/4885NLRP3 3971/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 PDGFRA 742/4885SYK 781/4885NLRP3 4439/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDGFRA 4611/4885SYK 1941/4885NLRP3 3971/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 PDGFRA 896/4885SYK 701/4885NLRP3 4513/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PDGFRA 4611/4885SYK 1941/4885NLRP3 3971/4885

“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.