SCHEMBL21030732

SCHEMBL21030732

CC(C)c1cnc(-n2nccn2)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MALT1 Q9UDY8 18/20 0.34
KDM5A P29375 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
SCHEMBL20319613 0.78 OPRK1 (0.41) MALT1
SCHEMBL19105579 0.75 ALDH1A1 (0.48) ALDH1A1POLBHPGD
SCHEMBL23571107 0.75 TAAR1 (0.47) ALDH1A1HPGD
SCHEMBL21030739 0.75 MALT1 (0.32) MALT1
SCHEMBL21030633 0.75 MALT1 (0.44) MALT1
SCHEMBL18839501 0.75 MALT1 (0.38) NPC1ALDH1A1RAB9AMALT1
SCHEMBL29818410 0.75 MALT1 (0.38) NPC1ALDH1A1RAB9AMALT1
SCHEMBL21032128 0.74 NPC1 (0.38) NPC1ALDH1A1POLBHPGDRAB9A
SCHEMBL13523637 0.74 CHRNB2 (0.38) NPC1ALDH1A1POLBHPGDRAB9A
SCHEMBL14225098 0.74 ALDH1A1 (0.40) NPC1ALDH1A1POLBHPGDRAB9A

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
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO 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 (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 NPC1 1613/4885ALDH1A1 1217/4885POLB 4814/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NPC1 1613/4885ALDH1A1 1217/4885POLB 4814/4885

“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.