SCHEMBL1767744

SCHEMBL1767744

Cc1cc(CC(C)(C)C)ncn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.31
NUDT1 P36639 1/20 0.31
BRD4 O60885 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
SCHEMBL21325539 0.86 GRN (0.32)
SCHEMBL18501678 0.77
SCHEMBL1767766 0.77 GRN (0.31)
SCHEMBL25025259 0.75 CYP2C19 (0.38)
SCHEMBL805489 0.75
SCHEMBL21350605 0.74 NOS3 (0.34)
SCHEMBL15277654 0.73
SCHEMBL18633435 0.73
SCHEMBL29525082 0.73
SCHEMBL7995499 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-11312713-B2 Imidazo[4,5-C]quinoline derivatives as LRRK2 inhibitors PFIZER INC. (US) 2022-04-26 US disclosed
US-20210355117-A1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-11-18 US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 US disclosed
EP-2504330-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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 (6 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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C AAK1 1712/4885NUDT1 2075/4885BRD4 612/4885
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C AAK1 1712/4885NUDT1 2075/4885BRD4 612/4885
US-11312713-B2 Imidazo[4,5-C]quinoline derivatives as LRRK2 inhibitors LRRK2, PARK7, BRCA1 AAK1 633/4885NUDT1 2000/4885BRD4 232/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C AAK1 1712/4885NUDT1 2075/4885BRD4 612/4885
US-20210355117-A1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, BRCA1 AAK1 601/4885NUDT1 2125/4885BRD4 176/4885
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP AAK1 489/4885NUDT1 4304/4885BRD4 322/4885

“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.