SCHEMBL3526015

SCHEMBL3526015

Nc1nn2ccnc2c(Nc2cccc(C(F)(F)F)c2)c1[C@H]1CC[C@H](N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.44
CDK1 P06493 1/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDO2 P48775 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSC P53634 1/20 0.38
AURKA O14965 2/20 0.37
KIF11 P52732 1/20 0.36
RAF1 P04049 1/20 0.36
CAMK1D Q8IU85 3/20 0.36
MAP3K7 O43318 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3017588 0.88 JAK2 (0.36) TDO2RAF1KCNH2
SCHEMBL3028225 0.87 EGFR (0.40) CDK1MAPTRAPGEF4RAB9ASMN1; SMN2
SCHEMBL3248762 0.86 PIM1 (0.39) CTSCPIM1SYKKCNH2
SCHEMBL3023975 0.85 EGFR (0.40) MAPTRAPGEF4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3018600 0.85 TDO2 (0.35) TDO2
SCHEMBL3026274 0.85 EGFR (0.40) CDK1TDO2PIM1SYK
SCHEMBL3006896 0.85 CDK2 (0.37) SYK
SCHEMBL3023111 0.85 CDK2 (0.37) SYK
SCHEMBL3018103 0.85 CDK2 (0.37) SYK
SCHEMBL3010338 0.85 SYK (0.39) CAMK1DSYK

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-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-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 (4 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 IDH2 975/4885CDK1 86/4885GAA 4514/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 IDH2 2428/4885CDK1 142/4885GAA 3346/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 IDH2 1322/4885CDK1 105/4885GAA 4483/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 IDH2 2428/4885CDK1 142/4885GAA 3346/4885

“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.