SCHEMBL452296

SCHEMBL452296

Cc1cnc2sc(Br)nn12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
MET P08581 1/20 0.32
LTK P29376 1/20 0.32
CDK9 P50750 1/20 0.32
PRKX P51817 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL12970363 0.81 RAB9A (0.44) CHEK1METLTKCDK9PRKX
SCHEMBL23292148 0.75 RAB9A (0.30) RAB9A
SCHEMBL9231384 0.75 CHEK1 (0.30) CHEK1METLTKCDK9PRKX
SCHEMBL12616125 0.75 L3MBTL1 (0.44) CHEK1METLTKCDK9PRKX
SCHEMBL452453 0.71 ALDH1A1 (0.33)
SCHEMBL15349467 0.69 RAB9A (0.30) RAB9A
SCHEMBL2253715 0.68 TNF (0.31)
SCHEMBL2257307 0.66 ALDH1A1 (0.34) IDO1RAB9ASMN1; SMN2
SCHEMBL23288668 0.66 LMNA (0.39) MAPT
SCHEMBL452295 0.64 F2RL3 (0.46) RAB9ANPC1SMN1; SMN2

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-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 EP disclosed
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-8796244-B2 Imidazopyridine derivatives as inhibitors of receptor tyrosine kinases ASTEX THERAPEUTICS LTD (GB) 2014-08-05 US disclosed
US-20120208791-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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 (2 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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD CHEK1 222/4885MET 967/4885LTK 233/4885
US-20120208791-A1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ABL1, ERBB2, RET CHEK1 319/4885MET 135/4885LTK 8/4885

“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.