SCHEMBL21030728

SCHEMBL21030728

Cc1cnc(-n2cccn2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
BDKRB2 P30411 1/20 0.36
MET P08581 1/20 0.35
MALT1 Q9UDY8 3/20 0.35
GRM5 P41594 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL26769890 0.83 ALDH1A1 (0.42) ADORA2ANOTUMALDH1A1KDM4ELMNA
SCHEMBL14909391 0.80 ADORA2A (0.46) ADORA2ANOTUMALDH1A1KDM4ELMNA
SCHEMBL13822152 0.80 MAPT (0.37) ADORA2AALDH1A1KDM4ELMNAMAPT
SCHEMBL30517103 0.80 ADORA2A (0.46) ADORA2ANOTUMALDH1A1KDM4ELMNA
SCHEMBL21030629 0.80 POLB (0.38) ADORA2ANOTUMALDH1A1KDM4ELMNA
SCHEMBL23608899 0.77 MALT1 (0.45) MALT1
SCHEMBL22642750 0.77 NOTUM (0.50) NOTUM
SCHEMBL26769889 0.77 NOTUM (0.43) ADORA2ANOTUMALDH1A1KDM4ELMNA
SCHEMBL26643068 0.76 LMNA (0.46) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL14910448 0.74 ALDH1A1 (0.41) ADORA2ANOTUMALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 US 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO ADORA2A 4621/4885NOTUM 2566/4885ALDH1A1 1217/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO ADORA2A 4621/4885NOTUM 2566/4885ALDH1A1 1217/4885

“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.