SCHEMBL10022344

SCHEMBL10022344

CC(C)c1ccc(N2CCNC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB8 P26012 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
NOTUM Q6P988 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 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
SCHEMBL5726971 0.82 CCNA2 (0.53) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL5727233 0.82 CCNA2 (0.53) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL5727201 0.82 CCNA2 (0.53) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL4712786 0.81 DDB1 (0.56) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL29322965 0.81 MEN1 (0.39) CCNA2CDK2CCNA1MGLLMEN1
SCHEMBL14340686 0.80 DRD2 (0.47) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL2883318 0.79 ADRB1 (0.47) MGLLMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2723456 0.79 HTR3E (0.47) MGLLMEN1KMT2ALMNAITGB3
SCHEMBL6796684 0.79 CCNA2 (0.53) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL6788871 0.79 CCNA2 (0.53) CCNA2CDK2CCNA1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CCNA2 989/4885CDK2 256/4885CCNA1 1516/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA CCNA2 1100/4885CDK2 224/4885CCNA1 1058/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CCNA2 3470/4885CDK2 2131/4885CCNA1 3414/4885

“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.