SCHEMBL10033235

SCHEMBL10033235

Nc1ncnc2c1ncn2CC(=O)NCCCNC(=O)CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.58
▸ CA4 P22748 4/20 0.58
▸ CA9 Q16790 4/20 0.58
▸ CA1 P00915 3/20 0.58
▸ ADCY5 O95622 4/20 0.55
▸ EGFR P00533 2/20 0.53
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC2 Q92769 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ ADORA2A P29274 2/20 0.47
▸ PRKACA P17612 1/20 0.46
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL3134165 0.84 CA2 (0.60) CA2CA4CA9CA1ADCY5
SCHEMBL1673251 0.79 EGFR (0.70) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL17297723 0.76 ADCY5 (0.74) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL983769 0.76 ADORA2A (0.68) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL6045746 0.75 ADCY5 (0.74) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL6045717 0.74 ADCY5 (0.75) ADCY5EGFRALDH1A1ADORA2APRKACA
SCHEMBL6045556 0.74 ADCY5 (0.75) ADCY5EGFRALDH1A1ADORA2APRKACA
SCHEMBL17165347 0.73 EGFR (0.66) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL17293996 0.73 ADORA2A (0.62) ADCY5EGFRALDH1A1ADORA2AADORA1
SCHEMBL8594401 0.73 EGFR (0.53) CA2CA4CA9CA1ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK CA2 866/4885CA4 2510/4885CA9 3860/4885

“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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