SCHEMBL16748868

SCHEMBL16748868

CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(Br)c3c(Cl)nccn23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.51
▸ HPGDS O60760 2/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ANO1 Q5XXA6 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL18345372 1.00 TNK2 (0.51) TNK2HPGDSJAK2JAK1POLB
SCHEMBL18099745 0.91 TNK2 (0.49) TNK2HPGDSPOLBFPR2USP30
SCHEMBL18099750 0.89 TNK2 (0.51) TNK2HPGDSJAK2JAK1POLB
SCHEMBL18345263 0.89 TNK2 (0.60) TNK2HPGDSBTK
SCHEMBL16748869 0.89 TNK2 (0.60) TNK2HPGDSBTK
SCHEMBL28652429 0.89 TNK2 (0.51) TNK2HPGDSJAK2JAK1POLB
SCHEMBL25228504 0.85 TNK2 (0.39) TNK2BTK
SCHEMBL14630141 0.85 TNK2 (0.39) TNK2BTK
SCHEMBL14636749 0.84 POLB (0.41) TNK2HPGDSPOLBUSP30GPR119
SCHEMBL14636750 0.84 POLB (0.41) TNK2HPGDSPOLBUSP30GPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313839-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-05-02 — — EP disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 — — US disclosed
WO-2016210165-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-29 — — WO disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 — — US disclosed
WO-2015074138-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 — — WO 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 (1 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-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC TNK2 43/4885HPGDS 2388/4885JAK2 166/4885

“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.

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