SCHEMBL22313896

SCHEMBL22313896

O=C(NCc1cnc(NC2CCCCCCCC2)nc1/C1=C/CCCCCCC1)C1CCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 9/20 0.38
▸ CDK2 P24941 9/20 0.38
▸ CCNA1 P78396 9/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ MAPK8 P45983 1/20 0.35

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
SCHEMBL19359626 0.89 CCNA2 (0.42) CCNA2CDK2CCNA1HDAC1HDAC2
SCHEMBL20155196 0.85 CCNA2 (0.41) CCNA2CDK2CCNA1HDAC1HDAC2
SCHEMBL20155193 0.81 PAK1 (0.39) CCNA2CDK2CCNA1HDAC1HDAC2
SCHEMBL19359631 0.81 PAK1 (0.39) CCNA2CDK2CCNA1HDAC1HDAC2
SCHEMBL22313392 0.81 ADORA1 (0.48) CCNA2CDK2CCNA1EPHX2MERTK
SCHEMBL23393876 0.78 HDAC6 (0.42) HDAC1HDAC2HDAC6HDAC3EPHX2
SCHEMBL22313895 0.78 HDAC6 (0.42) HDAC1HDAC2HDAC6HDAC3EPHX2
SCHEMBL19359625 0.78 HDAC6 (0.42) HDAC1HDAC2HDAC6HDAC3EPHX2
SCHEMBL23393877 0.76 HDAC6 (0.37) HDAC1HDAC2HDAC6HDAC3EPHX2
SCHEMBL19359660 0.72 CTSK (0.45) CCNA2CDK2CCNA1HDAC1HDAC2

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-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 — — US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 — — 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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB CCNA2 73/4885CDK2 27/4885CCNA1 79/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB CCNA2 73/4885CDK2 27/4885CCNA1 79/4885

“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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