SCHEMBL5054018

SCHEMBL5054018

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.37
▸ SLC22A12 Q96S37 6/20 0.35
▸ ITK Q08881 2/20 0.34
▸ HASPIN Q8TF76 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ GUCY1A1 Q02108 1/20 0.32
▸ GUCY1B1 Q02153 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL5054001 0.96 KDM4C (0.36) KDM4CSLC22A12ITKHASPINHTR7
SCHEMBL5055543 0.84 KHK (0.38) KDM4CSLC22A12ITKSYK
SCHEMBL5055625 0.82 CHEK1 (0.39) KDM4CCHEK1
SCHEMBL5054165 0.82 SYK (0.37) KDM4CSLC22A12ITKSYKSCN9A
SCHEMBL5053947 0.81 SYK (0.36) KDM4CSLC22A12SYKKDM4EALDH1A1
SCHEMBL5054031 0.80 CHEK1 (0.44) KDM4CSLC22A12ITKCHEK1ALDH1A1
SCHEMBL5055588 0.79 CHEK1 (0.38) KDM4CCHEK1
SCHEMBL28770040 0.71 ITK (0.42) ITK
SCHEMBL5054000 0.71 CHEK1 (0.46) ITKCHEK1
SCHEMBL28770038 0.70 ITK (0.45) ITK

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 974/4885SLC22A12 4472/4885ITK 493/4885

“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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