SCHEMBL16610847

SCHEMBL16610847

COc1ncc(C#N)c2c1c(-c1ccn(C)n1)cn2C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
RET P07949 8/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SRC P12931 3/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
ABL2 P42684 2/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
TYRO3 Q06418 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
PRMT5 O14744 1/20 0.31
METTL3 Q86U44 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
IRAK1 P51617 1/20 0.31
NUAK1 O60285 1/20 0.31

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
SCHEMBL16611095 0.84 SQOR (0.36) HCRTR1HCRTR2SRCABL1EGFR
SCHEMBL16611724 0.84 RET (0.40) BMPR1AACVRL1ACVR1RET
SCHEMBL16611226 0.82 SRC (0.44) SRCABL1EGFRABL2
SCHEMBL16610877 0.81 SRC (0.46) RETSRCABL1EGFRABL2
SCHEMBL16611505 0.80 SRC (0.39) RETHCRTR1HCRTR2SRCABL1
SCHEMBL16611579 0.79 KDM4E (0.35) SRCABL1EGFRABL2
SCHEMBL16610728 0.79 ROCK2 (0.35) SRCABL1EGFRABL2
SCHEMBL16611632 0.79 LRRK2 (0.38) BMPR1AACVRL1ACVR1IRAK4RET
SCHEMBL16611022 0.78 LRRK2 (0.38) BMPR1AACVRL1ACVR1IRAK4RET
SCHEMBL16610732 0.78 SRC (0.39) RETSRCABL1EGFRABL2

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 BMPR1A 2893/4885ACVRL1 961/4885ACVR1 663/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BMPR1A 2893/4885ACVRL1 961/4885ACVR1 663/4885

“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.