SCHEMBL4133477

SCHEMBL4133477

CNc1cc(-c2ccccc2)nn1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.54
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BRD4 O60885 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 2/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.44
PHGDH O43175 1/20 0.44
GPR142 Q7Z601 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL4677894 0.82 MAPT (0.58) MAPTPOLBRAB9AKMT2A
SCHEMBL11888034 0.82 RAB9A (0.43) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL2691331 0.82 CYP2A6 (0.50) MAPTPOLBRAB9A
SCHEMBL11886178 0.81 MAPT (0.51) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL13975027 0.80 MAPT (0.69) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL19936442 0.80 NPY5R (0.47) MAPTPOLBRAB9A
SCHEMBL11888048 0.80 RAB9A (0.46) MAPTRAB9AKMT2APHGDH
SCHEMBL15656086 0.80 MAPT (0.64) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL13975008 0.78 MAPT (0.63) MAPTPOLBRAB9AXBP1NPSR1
SCHEMBL5306582 0.78 MAPT (0.41) MAPTPOLBRAB9AXBP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 WO disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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 (3 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 MAPT 503/4885POLB 3242/4885RAB9A 4082/4885
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 MAPT 469/4885POLB 2101/4885RAB9A 4517/4885
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 MAPT 3184/4885POLB 1144/4885RAB9A 1751/4885

“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.