Sugi Predict

Sugi Predict / Compounds / SCHEMBL16611490

SCHEMBL16611490

SCHEMBL16611490

CC(C)Cn1cc(-c2cn(C3CCCC3)c3c(C#N)c[nH]c(=O)c23)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ PRPS1 P60891 1/20 0.32
▸ XDH P47989 1/20 0.32

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
SCHEMBL16611071 0.88 JAK1 (0.35) KDM5ACREBBPJAK2JAK1XDH
SCHEMBL16611405 0.86 BMPR1A (0.38) KDM5APIK3CAUSP30RETCREBBP
SCHEMBL16611308 0.85 ALK (0.35) PIK3CACREBBPJAK2JAK1XDH
SCHEMBL16611359 0.84 KDM5A (0.42) KDM5AKDM5BJAK2XDH
SCHEMBL16610735 0.83 KDM5A (0.42) KDM5AKDM5BRETJAK2XDH
SCHEMBL16611024 0.80 KDM5A (0.36) KDM5AKDM5BIRAK4USP30RET
SCHEMBL16610767 0.79 MTOR (0.36) KDM5APIK3CAJAK2JAK1XDH
SCHEMBL16610802 0.77 SRC (0.41) KDM5AMAPK1XDH
SCHEMBL16611598 0.76 XDH (0.38) KDM5APIM1XDH
SCHEMBL16610742 0.75 XDH (0.37) XDH

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
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 — — US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 — — US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 — — US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 — — US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 — — US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 — — US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 — — US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 — — US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 — — US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 — — EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM5A 132/4885KDM5B 139/4885PIM1 215/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM5A 132/4885KDM5B 139/4885PIM1 215/4885

“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.