SCHEMBL21030730

SCHEMBL21030730

CC(C)c1cnc(-c2ccnn2C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.38
COMT P21964 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ATR Q13535 1/20 0.33
BDKRB2 P30411 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL17293168 0.79 ALDH1A1 (0.43) MALT1ALDH1A1MAPTS1PR1COMT
SCHEMBL17293158 0.79 ALDH1A1 (0.43) MALT1ALDH1A1MAPTS1PR1COMT
SCHEMBL333882 0.79 ALDH1A1 (0.43) MALT1ALDH1A1MAPTS1PR1COMT
SCHEMBL21030631 0.77 ALDH1A1 (0.41) MALT1ALDH1A1MAPTS1PR1COMT
SCHEMBL18820154 0.73 MALT1 (0.42) MALT1ALDH1A1MAPTS1PR1COMT
SCHEMBL24869546 0.72 AXL (0.43) CNR2CCNE2CCNE1CDK2
SCHEMBL13086631 0.71 CYP11B2 (0.40) ALDH1A1MAPTS1PR1COMTCYP11B1
SCHEMBL23467159 0.71 CYP1A2 (0.50) ALDH1A1MAPTS1PR1COMTSIGMAR1
SCHEMBL20676353 0.70 COMT (0.40) ALDH1A1MAPTS1PR1COMTCYP11B1
SCHEMBL21858874 0.70 ALDH1A1 (0.46) MALT1ALDH1A1MAPTS1PR1COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
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 (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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885ALDH1A1 1217/4885MAPT 2864/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885ALDH1A1 1217/4885MAPT 2864/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885ALDH1A1 1217/4885MAPT 2864/4885

“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.