SCHEMBL17455976

SCHEMBL17455976

Fc1ccc(-c2ccncc2)c(OC2CCNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 9/20 0.50
▸ BCL9 O00512 8/20 0.50
▸ CHUK O15111 3/20 0.48
▸ IKBKB O14920 2/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ ROCK1 Q13464 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ PRKCZ Q05513 1/20 0.46
▸ DYRK3 O43781 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ PRKX P51817 1/20 0.45

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
SCHEMBL17456032 0.84 ROCK1 (0.52) CTNNB1BCL9CHUKIKBKBHTR1A
SCHEMBL23161332 0.79 SLC6A2 (0.64) CTNNB1BCL9HTR1ASLC6A2HTR2C
Hydrochloric Acid SCHEMBL72907 0.77 SLC6A2 (0.62) CTNNB1BCL9HTR1ASLC6A2HTR2C
Hydrochloric Acid SCHEMBL23146510 0.77 SLC6A2 (0.62) CTNNB1BCL9HTR1ASLC6A2HTR2C
SCHEMBL30791461 0.76 HRH1 (0.65) CTNNB1BCL9HTR1ASLC6A2HTR2C
SCHEMBL15062008 0.76 HTR2C (0.54) CTNNB1BCL9HTR1ASLC6A2HTR2C
SCHEMBL3880092 0.76 SLC6A2 (0.54) CTNNB1BCL9CHUKIKBKBHTR1A
SCHEMBL15076157 0.76 HTR2C (0.54) CTNNB1BCL9HTR1ASLC6A2HTR2C
SCHEMBL2944352 0.76 SLC6A2 (0.54) CTNNB1BCL9CHUKIKBKBHTR1A
SCHEMBL15062009 0.76 HTR2C (0.54) CTNNB1BCL9HTR1ASLC6A2HTR2C

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
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 CTNNB1 1293/4885BCL9 2995/4885CHUK 1104/4885

“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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