SCHEMBL5051812

SCHEMBL5051812

Cn1nc(-c2cc3cc(CNCC4CCNCC4)ccc3[nH]2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ CHEK1 O14757 4/20 0.38
▸ CDK7 P50613 3/20 0.38
▸ KHK P50053 1/20 0.38
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL5055625 0.84 CHEK1 (0.39) CHEK1CDK7MMP13
SCHEMBL5055543 0.84 KHK (0.38) PRMT5WDR77KHK
SCHEMBL5055588 0.82 CHEK1 (0.38) CHEK1CDK7MMP13
SCHEMBL5058943 0.82 CHEK1 (0.38) CHEK1CDK7MMP13
SCHEMBL5051856 0.81 CHEK1 (0.41) CHEK1CDK7MMP13
SCHEMBL5061555 0.78 HPN (0.41) CHEK1CDK7MMP13
SCHEMBL5051829 0.78 CHEK1 (0.50) CHEK1CDK7
SCHEMBL5051810 0.76 CHEK1 (0.62) PRMT5WDR77CHEK1CDK7
SCHEMBL5061556 0.76 CHEK1 (0.60) CHEK1CDK7
SCHEMBL28770034 0.75 CHEK1 (0.44) PRMT5WDR77CHEK1CDK7

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 PRMT5 1400/4885WDR77 1229/4885CHEK1 1/4885

“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.

Send feedback