SCHEMBL17434391

SCHEMBL17434391

CCn1c(=O)c2cc(NC(=O)C(C)CN)ccc2n(CC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.54
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPY5R Q15761 5/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PARG Q86W56 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL17434122 0.85 RORC (0.52) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL17434493 0.84 RORC (0.68) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434402 0.82 RORC (0.60) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434593 0.81 RORC (0.64) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434546 0.80 RORC (0.62) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434545 0.80 RORC (0.62) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434508 0.78 RORC (0.69) RORCMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17434226 0.78 RORC (0.53) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL17434228 0.78 RORC (0.53) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL17434372 0.78 RORC (0.58) RORCMAPTLMNAALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 — — US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 — — US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA RORC 2/4885MAPT 3009/4885LMNA 4161/4885

“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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