SCHEMBL5054001

SCHEMBL5054001

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.36
▸ HASPIN Q8TF76 1/20 0.35
▸ MC1R Q01726 1/20 0.34
▸ SLC22A12 Q96S37 6/20 0.34
▸ ITK Q08881 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ UNG P13051 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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 0.96 KDM4C (0.37) KDM4CHASPINSLC22A12ITKKDM4E
SCHEMBL5055588 0.83 CHEK1 (0.38) KDM4C
SCHEMBL5055543 0.82 KHK (0.38) KDM4CSLC22A12ITKSYK
SCHEMBL5054165 0.81 SYK (0.37) KDM4CSLC22A12ITKALDH1A1SYK
SCHEMBL5053947 0.79 SYK (0.36) KDM4CSLC22A12KDM4EMEN1ALDH1A1
SCHEMBL5055625 0.79 CHEK1 (0.39) KDM4C
SCHEMBL5054031 0.78 CHEK1 (0.44) KDM4CSLC22A12ITKMEN1ALDH1A1
SCHEMBL5054000 0.75 CHEK1 (0.46) ITKMAPK8
SCHEMBL27688765 0.72 ITK (0.41) ITKMAPK8
SCHEMBL27688764 0.71 ITK (0.44) ITKMAPK8

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 KDM4C 974/4885HASPIN 829/4885MC1R 2344/4885

“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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