SCHEMBL17434372

SCHEMBL17434372

CCn1c(=O)c2cc(NC(=O)CC(CN)c3ccccc3)ccc2n(CC)c1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 8/20 0.58
▸ NPY5R Q15761 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MDM2 Q00987 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
SCHEMBL17434271 0.87 RORC (0.54) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434493 0.84 RORC (0.68) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434402 0.82 RORC (0.60) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434593 0.82 RORC (0.64) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434030 0.80 RORC (0.71) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434545 0.80 RORC (0.62) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434546 0.80 RORC (0.62) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434295 0.79 RORC (0.61) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434508 0.79 RORC (0.69) RORCNPY5RKDM4ESMN1; SMN2MAPT
SCHEMBL17434610 0.78 RORC (0.70) RORCMAPT

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 2/4885NPY5R 210/4885KDM4E 728/4885

“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.

Send feedback