SCHEMBL3605168

SCHEMBL3605168

Cc1c(C(=C=O)CN(C)C)ccnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1651982 0.81 LMNA (0.47) ALDH1A1L3MBTL1
SCHEMBL5763247 0.73 TDP1 (0.37) ALDH1A1MAPTL3MBTL1
SCHEMBL3403141 0.72 PREP (0.43) ALDH1A1
SCHEMBL4540614 0.72 CYP11B1 (0.39) FFAR1ALDH1A1MAPTL3MBTL1
SCHEMBL3411109 0.70 POLB (0.44) ALDH1A1MAPT
SCHEMBL5765561 0.69 CTNNB1 (0.34) MAPT
SCHEMBL5759364 0.69 TDP1 (0.33)
SCHEMBL3656546 0.69 LMNA (0.41) FFAR1ALDH1A1L3MBTL1
SCHEMBL1119080 0.69 SMN1; SMN2 (0.41) FFAR1ALDH1A1MAPTL3MBTL1
SCHEMBL581067 0.69 SMN1; SMN2 (0.55) FFAR1ALDH1A1MAPTL3MBTL1

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-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
EP-2094682-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 FFAR1 2701/4885ALDH1A1 119/4885MAPT 1424/4885

“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.