SCHEMBL4903546

SCHEMBL4903546

CNC(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.68
▸ ALKBH2 Q6NS38 1/20 0.68
▸ RAB9A P51151 10/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ MAPT P10636 7/20 0.60
▸ HPGD P15428 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ PTGDR2 Q9Y5Y4 2/20 0.51

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
SCHEMBL18682731 0.85 MKNK1 (0.55) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL30147599 0.84 NPC1 (0.50) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL2605693 0.83 HPGDS (0.62) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL13926374 0.83 HPGDS (0.62) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL13607996 0.83 HPGDS (0.62) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL4118702 0.81 ALKBH2 (0.74) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL27645860 0.81 HPGDS (0.64) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL70281 0.81 ALKBH2 (1.00) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL7729542 0.81 HPGDS (0.79) HPGDSALKBH2RAB9ANPC1MAPT
SCHEMBL8085746 0.81 HPGDS (0.68) HPGDSALKBH2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 — — US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 — — US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 — — US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 — — US disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 — — 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HPGDS 1307/4885ALKBH2 3731/4885RAB9A 2424/4885

“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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