SCHEMBL23009347

SCHEMBL23009347

CCS(CC)(CC)c1cc2ccc(C)nc2n1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.34
▸ CCR1 P32246 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ CYP11B2 P19099 1/20 0.30
▸ GLO1 Q04760 1/20 0.30

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
SCHEMBL23009312 0.76 KDM4E (0.42) ADORA1CYP1A2
SCHEMBL19559066 0.75 KDM4E (0.38) CCR1RAB9ACYP1A2GLO1
SCHEMBL19559092 0.68 MAPT (0.46) CYP1A2
SCHEMBL18685613 0.67 KMT2A (0.46) —
SCHEMBL19559062 0.67 ALKBH5 (0.35) RAB9ACYP1A2
SCHEMBL19559026 0.66 MAPT (0.41) RAB9A
SCHEMBL19559091 0.66 RAPGEF4 (0.37) RAB9A
SCHEMBL7914443 0.65 RAB9A (0.41) CCR1RAB9ACCR5CYP1A2
SCHEMBL19559087 0.60 HTR6 (0.41) RAB9A
SCHEMBL17813476 0.60 CDK4 (0.41) CCR1RAB9ACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 — — US disclosed
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-18 — — US 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 (2 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 ADORA1 3753/4885CCR1 2098/4885RAB9A 2128/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 ADORA1 3753/4885CCR1 2098/4885RAB9A 2128/4885

“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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