SCHEMBL21031218

SCHEMBL21031218

CC(C)c1cc(Cl)cnc1OCCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.51
CHRNB2 P17787 2/20 0.51
MAPT P10636 1/20 0.46
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL21030737 0.81 PLAU (0.43) SMN1; SMN2
SCHEMBL20086562 0.81 GABRA1 (0.39) SMN1; SMN2
SCHEMBL17040561 0.80 GABRA1 (0.39) MAPTKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL23032774 0.80 CHRNB2 (0.55) CHRNA4CHRNB2MAPTMALT1KDM4E
SCHEMBL21030617 0.78 CHRNB2 (0.54) CHRNA4CHRNB2MAPTMALT1KDM4E
SCHEMBL17293197 0.78 CHRNB2 (0.54) CHRNA4CHRNB2MAPTMALT1KDM4E
SCHEMBL23032504 0.77 CHRNB2 (0.53) CHRNA4CHRNB2MAPTMALT1KDM4E
SCHEMBL19826777 0.76 CHRNB2 (0.51) CHRNA4CHRNB2MAPTMALT1KDM4E
SCHEMBL11890406 0.75 TSHR (0.43) SMN1; SMN2
SCHEMBL17293088 0.72 CHRNB2 (0.48) CHRNA4CHRNB2MAPTMALT1KDM4E

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 CHRNA4 4667/4885CHRNB2 4804/4885MAPT 2864/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO CHRNA4 4667/4885CHRNB2 4804/4885MAPT 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.