SCHEMBL17434556

SCHEMBL17434556

CCn1c(=O)n(CCC#N)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.59
▸ KMT2A Q03164 7/20 0.52
▸ MAPT P10636 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PARG Q86W56 4/20 0.46
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 1/20 0.39

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
SCHEMBL17434617 0.95 CYP1A2 (0.55) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434620 0.86 CYP1A2 (0.73) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434092 0.86 CYP1A2 (0.58) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434558 0.82 CYP1A2 (0.60) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434118 0.81 CYP1A2 (0.65) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434259 0.81 KDM4E (0.54) KMT2AMAPTMEN1PARGPDE4A
SCHEMBL17434506 0.81 CYP1A2 (0.57) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17433905 0.80 CYP1A2 (0.63) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434573 0.80 CYP1A2 (0.63) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL17434445 0.80 CYP1A2 (0.63) CYP1A2KMT2AMAPTMEN1LMNA

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 CYP1A2 159/4885KMT2A 234/4885MAPT 3009/4885

“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