SCHEMBL18995890

SCHEMBL18995890

COC1CCC(C(=O)Nc2cc(-c3cc(C#CCOCCNC(=O)n4nc(C)cc4C)nc(Nc4ccc(F)cc4)c3)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.57
▸ MAPK10 P53779 8/20 0.57
▸ MAPK8 P45983 7/20 0.57
▸ GSK3B P49841 8/20 0.41
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ GSK3A P49840 2/20 0.37
▸ CDK1 P06493 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CDK3 Q00526 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ BUB1 O43683 1/20 0.36

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
SCHEMBL18999590 1.00 MAPK14 (0.57) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL12627476 0.89 MAPK14 (0.59) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL18431826 0.89 MAPK14 (0.59) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL12627466 0.82 MAPK14 (0.60) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL18431264 0.82 MAPK14 (0.60) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL18431263 0.81 MAPK14 (0.62) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL12627459 0.81 MAPK14 (0.62) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL12627468 0.79 MAPK14 (0.63) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL18431266 0.79 MAPK14 (0.63) MAPK14MAPK10MAPK8GSK3BPIP5K1C
SCHEMBL21068073 0.75 MAPK10 (1.00) MAPK14MAPK10MAPK8GSK3BPIP5K1C

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-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK MAPK14 285/4885MAPK10 294/4885MAPK8 214/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK MAPK14 285/4885MAPK10 294/4885MAPK8 214/4885

“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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