SCHEMBL16611308

SCHEMBL16611308

N#Cc1c[nH]c(=O)c2c(-c3cnn(CC(N)=O)c3)cn(C3CCCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.35
BTK Q06187 3/20 0.34
BRD4 O60885 1/20 0.34
PDK2 Q15119 2/20 0.33
BMPR1A P36894 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
PIK3CA P42336 2/20 0.32
XDH P47989 2/20 0.32
JAK3 P52333 3/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 2/20 0.32
ALOX5AP P20292 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
CREBBP Q92793 1/20 0.30

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 0.87 JAK1 (0.35) BTKBMPR1AACVRL1ACVR1XDH
SCHEMBL16611490 0.85 KDM5A (0.42) PIK3CAXDHJAK2JAK1CREBBP
SCHEMBL16611359 0.83 KDM5A (0.42) BMPR1AACVRL1ACVR1XDHJAK2
SCHEMBL16611405 0.83 BMPR1A (0.38) BMPR1AACVRL1ACVR1PIK3CAXDH
SCHEMBL16610735 0.82 KDM5A (0.42) BTKBMPR1AACVRL1ACVR1XDH
SCHEMBL16610623 0.81 BTK (0.38) BTKXDH
SCHEMBL16610920 0.81 ABL1 (0.35) ALKBRD4PDK2JAK3JAK2
SCHEMBL16611255 0.79 CHUK (0.40) BTKXDH
SCHEMBL16611838 0.79 TDP2 (0.37) ALKBTKPIK3CAXDHJAK3
SCHEMBL16610841 0.79 BTK (0.43) BTK

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 6 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-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 ALK 2239/4885BTK 117/4885BRD4 24/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALK 2239/4885BTK 117/4885BRD4 24/4885

“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.