SCHEMBL21030734

SCHEMBL21030734

COc1cc(C)cnc1-n1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.42
MALT1 Q9UDY8 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CYP19A1 P11511 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 2/20 0.33
ACHE P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21032122 0.81 NOTUM (0.45) NOTUMMALT1CYP19A1KMT2A
SCHEMBL19814315 0.79 MALT1 (0.50) NOTUMMALT1HCRTR1HCRTR2KMT2A
SCHEMBL22642750 0.78 NOTUM (0.50) NOTUMHCRTR1HCRTR2EGLN2
SCHEMBL21030743 0.74 NOTUM (0.40) NOTUMHCRTR1HCRTR2EGLN2
SCHEMBL1671789 0.73 HCRTR1 (0.49) NOTUMHCRTR1HCRTR2EGLN2ALDH1A1
SCHEMBL28050840 0.70 NOTUM (0.46) NOTUMHCRTR1HCRTR2CYP19A1EGLN2
SCHEMBL1473291 0.69 NOTUM (0.37) NOTUMMALT1CYP19A1
SCHEMBL14923452 0.68 NOTUM (0.40) NOTUMHCRTR1HCRTR2CYP19A1EGLN2
SCHEMBL13629601 0.67 NOTUM (0.58) NOTUMHCRTR1HCRTR2CYP19A1KMT2A
SCHEMBL6127790 0.67 PSEN1 (0.43) ALDH1A1

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 NOTUM 2566/4885MALT1 1/4885HCRTR1 4327/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NOTUM 2566/4885MALT1 1/4885HCRTR1 4327/4885

“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.