SCHEMBL5055543

SCHEMBL5055543

Cn1nc(-c2cc3c(CNCC4CCNCC4)cccc3[nH]2)c2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 4/20 0.38
▸ MAOA P21397 1/20 0.36
▸ KDM4C Q9H3R0 3/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ CLK3 P49761 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ ITK Q08881 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 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
SCHEMBL5054018 0.84 KDM4C (0.37) KDM4CSYKSLC22A12ITK
SCHEMBL5051812 0.84 PRMT5 (0.40) KHKPRMT5WDR77
SCHEMBL5054001 0.82 KDM4C (0.36) KDM4CSYKSLC22A12ITK
SCHEMBL5054165 0.82 SYK (0.37) KDM4CSYKSLC22A12ITK
SCHEMBL5053947 0.81 SYK (0.36) KDM4CSYKSLC22A12
SCHEMBL5054031 0.78 CHEK1 (0.44) KDM4CSLC22A12ITK
SCHEMBL5054014 0.76 CHEK1 (0.46) CLK2CLK3DYRK1AITK
SCHEMBL27708454 0.73 ITK (0.40) CLK2CLK3DYRK1AITK
SCHEMBL27708452 0.73 ITK (0.41) CLK2CLK3DYRK1AITK
SCHEMBL14319793 0.71 MAOA (0.44) MAOAPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 — — 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-20080004259-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B KHK 1322/4885MAOA 4556/4885KDM4C 974/4885

“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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