SCHEMBL20155193

SCHEMBL20155193

NCc1cnc(NC2CCCCCCCC2)nc1/C1=C/CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.39
▸ AOC1 P19801 3/20 0.38
▸ AOC3 Q16853 3/20 0.38
▸ CCNA2 P20248 7/20 0.38
▸ CDK2 P24941 7/20 0.38
▸ CCNA1 P78396 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCND2 P30279 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ CDK7 P50613 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
SCHEMBL19359631 1.00 PAK1 (0.39) PAK1AOC1AOC3CCNA2CDK2
SCHEMBL19359626 0.82 CCNA2 (0.42) CCNA2CDK2CCNA1AURKAHDAC3
SCHEMBL22313896 0.81 CCNA2 (0.38) CCNA2CDK2CCNA1AURKAHDAC3
SCHEMBL20155195 0.79 CTSK (0.45) PAK1CCNA2CDK2CCNA1KDM4E
SCHEMBL19359660 0.79 CTSK (0.45) PAK1CCNA2CDK2CCNA1KDM4E
SCHEMBL20155196 0.78 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAADORA1
SCHEMBL19359629 0.74 AOC1 (0.48) PAK1AOC1AOC3CCNA2CDK2
SCHEMBL19359654 0.74 AOC1 (0.48) PAK1AOC1AOC3CCNA2CDK2
SCHEMBL22313395 0.74 AOC1 (0.48) PAK1AOC1AOC3CCNA2CDK2
SCHEMBL12330009 0.66 CCNA2 (0.48) PAK1CCNA2CDK2CCNA1AURKA

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-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 — — 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-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB PAK1 548/4885AOC1 3669/4885AOC3 4120/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB PAK1 548/4885AOC1 3669/4885AOC3 4120/4885

“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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