SCHEMBL26759082

SCHEMBL26759082

CCc1cnc(C(=O)c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.50
CCNE1 P24864 1/20 0.50
CDK5 Q00535 1/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL18667219 0.85 ALDH1A1 (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL21229089 0.83 ALDH1A1 (0.44) CDK2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL18667221 0.80 VNN1 (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL18641500 0.78 LMNA (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL18667220 0.78 RAB9A (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL21229106 0.77 PPARG (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL18667224 0.76 KAT2B (0.40) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL8833640 0.75 CCNE1 (0.46) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL11919154 0.75 ALDH1A1 (0.70) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL17065253 0.74 SMYD3 (0.44) CDK2CCNE1CDK5SMYD3ALDH1A1

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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CDK2 1118/4885CCNE1 3848/4885CDK5 1059/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS CDK2 1118/4885CCNE1 3848/4885CDK5 1059/4885

“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.