SCHEMBL21030735

SCHEMBL21030735

COc1cc(C(C)C)cnc1-n1nccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.38
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.31
FGFR2 P21802 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 1/20 0.30
ATP1A2 P50993 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
SCHEMBL24869539 0.83 RXRA (0.36)
SCHEMBL21032122 0.77 NOTUM (0.45) MALT1
SCHEMBL12913457 0.77 KDM4E (0.46) ALDH1A1HPGDTSHRPOLB
SCHEMBL14349213 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDATMTSHR
SCHEMBL21030739 0.76 MALT1 (0.32) MALT1
SCHEMBL21030633 0.76 MALT1 (0.44) MALT1
SCHEMBL17293076 0.76 MAPT (0.35) MALT1ALDH1A1ATMTSHR
SCHEMBL6124277 0.74 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL14349675 0.74 PDE10A (0.49) ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL31651938 0.74 CHRNB2 (0.48) 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 MALT1 1/4885HDAC4 2209/4885HDAC8 2921/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885HDAC4 2209/4885HDAC8 2921/4885

“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.