SCHEMBL27102702

SCHEMBL27102702

COc1nccc(Cl)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ CCNB3 Q8WWL7 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ CCR4 P51679 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APLNR P35414 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 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
SCHEMBL20687548 0.80 GRM4 (0.33) NFE2L2DYRK1AAPLNRCYP3A4CYP2D6
SCHEMBL23620231 0.78 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14853043 0.78 CCR1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL21376391 0.78 ALDH1A1 (0.37) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL27102704 0.77 TLR9 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL26942083 0.75 CCNB2 (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL911419 0.75 CCR4 (0.43) NFE2L2CCR4MAPK1L3MBTL1DYRK1A
SCHEMBL439658 0.74 NFE2L2 (0.36) NFE2L2CCR4MAPK1L3MBTL1DYRK1A
SCHEMBL13036639 0.74 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL21848988 0.73 CD274 (0.36) NFE2L2CCR4MAPK1L3MBTL1MAPT

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
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 — — 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 (1 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-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 CCNB2 2018/4885CDK1 440/4885CCNB1 3152/4885

“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.

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