SCHEMBL19875603

SCHEMBL19875603

O=CN1CCNC(c2ccc(-c3ccc(-c4cn[nH]c4)cc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.45
▸ AKT2 P31751 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ HRH3 Q9Y5N1 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
SCHEMBL10388908 0.78 KDM4E (0.44) —
SCHEMBL27906101 0.76 PRCP (0.39) —
SCHEMBL24365048 0.72 MEN1 (0.49) ROCK2AKT2AKT1HRH3
Hydrochloric Acid SCHEMBL19875595 0.69 GSK3B (0.37) —
SCHEMBL20784255 0.68 ROCK2 (0.74) ROCK2
SCHEMBL16432987 0.65 AKT2 (0.76) ROCK2AKT2AKT1
SCHEMBL15689115 0.65 AKT2 (0.76) ROCK2AKT2AKT1
Hydrochloric Acid SCHEMBL19875629 0.65 MAPK1 (0.47) HRH3
SCHEMBL29324103 0.64 AKT1 (0.41) ROCK2AKT2AKT1HRH3
SCHEMBL29981292 0.64 AKT1 (0.41) ROCK2AKT2AKT1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 — — 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 (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-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ROCK2 1823/4885AKT2 4192/4885AKT1 3817/4885

“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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