SCHEMBL7920705

SCHEMBL7920705

Cc1cc2c(cn1)NCN2C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
UHRF1 Q96T88 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL10238784 0.85 HDAC1 (0.35) HDAC1UHRF1CYP1A2CYP2A6
SCHEMBL17813473 0.82 LRRK2 (0.30)
SCHEMBL9868917 0.72 HDAC1 (0.39) HDAC1
SCHEMBL7977458 0.69 HDAC1 (0.37) HDAC1CYP1A2CYP2A6
SCHEMBL7922207 0.69 HDAC1 (0.37) HDAC1
SCHEMBL7920712 0.68 CYP1A2 (0.35) UHRF1CYP1A2CYP2A6
SCHEMBL4229026 0.67 EGFR (0.36) HDAC1CYP1A2
SCHEMBL23889253 0.67
SCHEMBL7914437 0.67 CCR1 (0.31)
SCHEMBL7922276 0.67 CCR1 (0.31)

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
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB HDAC1 185/4885UHRF1 1898/4885CYP1A2 2432/4885

“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.