SCHEMBL22761964

SCHEMBL22761964

CCc1cnc2cnn(C(C)(C)C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 7/20 0.31
GRIN1 Q05586 6/20 0.31
MAPK1 P28482 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL22761958 0.76 MEN1 (0.31) MEN1NPC1RAB9AKMT2A
SCHEMBL22419371 0.73 PDE1A (0.38) GRIN2BGRIN1KCNH2HRH4HRH3
SCHEMBL22761968 0.72 GRIN2B (0.40) SMN1; SMN2MEN1NPC1TP53MAPT
SCHEMBL18123545 0.69 KCNH2 (0.39) SMN1; SMN2NPC1TP53RAB9AMAPK1
SCHEMBL12775630 0.68 CYP17A1 (0.32) GRIN2BGRIN1
SCHEMBL22152275 0.66 PIK3CB (0.39) SMN1; SMN2NPC1RAB9AGRIN2BGRIN1
SCHEMBL25606475 0.62 PDE6A (0.38) SMN1; SMN2NPC1TP53RAB9AKCNH2
SCHEMBL31347405 0.62 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AKCNH2HRH4
SCHEMBL31347400 0.62 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AKCNH2HRH4
SCHEMBL21530673 0.62 GRIN1 (0.32) GRIN2BGRIN1

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-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-10-11 US disclosed
US-20200385408-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BETTA PHARMACEUTICALS CO., LTD. (CN) 2020-12-10 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-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BRD4, BRD1, BRD2 SMN1; SMN2 3293/4885MEN1 1623/4885NPC1 2638/4885
US-20200385408-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BRD4, BRD1, BRD2 SMN1; SMN2 3293/4885MEN1 1623/4885NPC1 2638/4885

“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.