SCHEMBL16611724

SCHEMBL16611724

COc1ncc(C#N)c2c1c(-c1cnn(C)c1)cn2C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 0.40
CHEK1 O14757 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3R1 P27986 1/20 0.37
BMPR1A P36894 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 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
SCHEMBL16611632 0.91 LRRK2 (0.38) RETCHEK1PIK3CDBMPR1AACVRL1
SCHEMBL16611022 0.90 LRRK2 (0.38) RETCHEK1BMPR1AACVRL1ACVR1
SCHEMBL16611003 0.87 PIK3CG (0.36) RET
SCHEMBL16611226 0.86 SRC (0.44)
SCHEMBL16611024 0.86 KDM5A (0.36) RET
SCHEMBL16610728 0.84 ROCK2 (0.35)
SCHEMBL16610877 0.84 SRC (0.46) RET
SCHEMBL16611505 0.84 SRC (0.39) RET
SCHEMBL16610847 0.84 BMPR1A (0.37) RETBMPR1AACVRL1ACVR1
SCHEMBL16610920 0.83 ABL1 (0.35) RET

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 4 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-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 RET 2202/4885CHEK1 644/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RET 2202/4885CHEK1 644/4885PIK3CD 1337/4885

“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.