SCHEMBL15899338

SCHEMBL15899338

Cn1ccc2cc(N)c(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.58
PIK3CB P42338 1/20 0.49
GAA P10253 1/20 0.41
CYP2A6 P11509 2/20 0.41
MAOB P27338 1/20 0.38
CASP6 P55212 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2B P41595 1/20 0.36
EGFR P00533 1/20 0.36
CYP19A1 P11511 1/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
HSD11B1 P28845 1/20 0.34
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16122570 0.84 PRKCI (0.55) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL30030079 0.84 PRKCI (0.55) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL31035982 0.78 PRKCI (0.55) PRKCIPIK3CBCYP2A6HTR2CCYP3A4
SCHEMBL18876201 0.78 PRKCI (0.50) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL31735655 0.77 PRKCI (0.48) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL29263656 0.77 PRKCI (0.53) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL18853773 0.77 HTR2A (0.54) PRKCIPIK3CBCYP2A6MAOBHTR2A
SCHEMBL18683804 0.76 PRKCI (0.60) PRKCIPIK3CBCYP2A6MAOBHSD11B1
SCHEMBL21892379 0.75 BRD4 (0.38) PRKCIPIK3CBGAACASP6CYP3A4
SCHEMBL3339367 0.74 PRKCI (0.55) PRKCIPIK3CBCYP2A6CYP3A4EGFR

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-2759533-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2759533-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-07-30 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 (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-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA PRKCI 3350/4885PIK3CB 3668/4885GAA 4748/4885

“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.