SCHEMBL22761968

SCHEMBL22761968

CCc1cnc2ccn(C(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAP3K14 Q99558 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL22152275 0.78 PIK3CB (0.39) GRIN2BNPC1RAB9ASMN1; SMN2MAP3K14
SCHEMBL26596982 0.77 MET (0.40) GRIN2BALDH1A1
SCHEMBL18125584 0.77 MEN1 (0.38) GRIN2BMEN1KMT2A
SCHEMBL18852736 0.74 PARP1 (0.35) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18852742 0.74 GRIN2B (0.34) GRIN2B
SCHEMBL22761964 0.72 SMN1; SMN2 (0.33) GRIN2BMEN1KMT2ANPC1RAB9A
SCHEMBL24995507 0.69 PDE10A (0.31) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12827127 0.68 CYP1A2 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18123545 0.68 KCNH2 (0.39) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL18852738 0.67 NPC1 (0.36) MEN1KMT2ANPC1RAB9AMAPT

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 GRIN2B 2884/4885MEN1 1623/4885KMT2A 270/4885
US-20200385408-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BRD4, BRD1, BRD2 GRIN2B 2884/4885MEN1 1623/4885KMT2A 270/4885

“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.