SCHEMBL19633739

SCHEMBL19633739

CC(C)c1cncc(NC2CCN(S(C)(=O)=O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 2/20 0.45
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CCND1 P24385 9/20 0.43
CDK6 Q00534 9/20 0.43
CCNT1 O60563 5/20 0.43
CDK4 P11802 5/20 0.43
CDK9 P50750 5/20 0.43
CNR1 P21554 2/20 0.41
RORC P51449 1/20 0.41
CNR2 P34972 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CCND3 P30281 1/20 0.39
CCNB2 O95067 2/20 0.39

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
SCHEMBL15829847 0.83 POLB (0.48) IDO1CCNE1CDK2CCND1CDK6
SCHEMBL19964034 0.82 POLB (0.45) CDK2CCND1CDK6CDK4CCND3
SCHEMBL13436265 0.81 OGA (0.41)
SCHEMBL23251072 0.81 KMT2A (0.49) MEN1KMT2AIDO1CCNE1CDK2
SCHEMBL18466153 0.80 IDO1 (0.48) IDO1CCNE1CDK2CCND1CDK6
SCHEMBL18466156 0.80 CYP11B1 (0.48) KMT2ARORCCYP11B1CYP11B2
SCHEMBL17308595 0.80 MEN1 (0.45) MEN1KMT2AIDO1CCNE1CDK2
SCHEMBL19963975 0.76 RIPK2 (0.44)
SCHEMBL13436322 0.75 MAPK1 (0.43) CDK2CDK9RORCCNR2P2RX3
SCHEMBL22170133 0.75 RIPK2 (0.45)

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
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 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 (3 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-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 MEN1 836/4885KMT2A 129/4885IDO1 1384/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 MEN1 1665/4885KMT2A 48/4885IDO1 928/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 MEN1 1665/4885KMT2A 48/4885IDO1 928/4885

“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.