SCHEMBL7112533

SCHEMBL7112533

Nc1nc(NC(CO)c2ccccc2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ EGFR P00533 5/20 0.42
▸ AGPAT2 O15120 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CCNT1 O60563 5/20 0.40
▸ CDK9 P50750 5/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ INSR P06213 1/20 0.38

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
SCHEMBL7110100 1.00 CCNC (0.48) CCNCCDK8EGFRAGPAT2MEN1
SCHEMBL7111428 0.86 CCNT1 (0.46) CCNCCDK8EGFRAGPAT2MEN1
SCHEMBL7111433 0.86 CCNT1 (0.46) CCNCCDK8EGFRAGPAT2MEN1
SCHEMBL7112017 0.84 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7112015 0.84 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7116366 0.84 TPH1 (0.39) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7114577 0.81 AGPAT2 (0.41) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7113448 0.80 CXCR2 (0.36) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL7113452 0.80 CXCR2 (0.36) AGPAT2MEN1LMNACYP1A2MAPT
SCHEMBL6641556 0.78 AGPAT2 (0.42) AGPAT2MEN1LMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 — — US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 — — 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CCNC 513/4885CDK8 262/4885EGFR 872/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 CCNC 513/4885CDK8 262/4885EGFR 872/4885

“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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