SCHEMBL17860612

SCHEMBL17860612

Cc1noc(C)c1-c1ccc2[nH]nc(C=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.68
▸ BRD4 O60885 14/20 0.53
▸ ERN1 O75460 2/20 0.52
▸ CREBBP Q92793 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ GSK3B P49841 2/20 0.46
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL17581450 0.80 JAK2 (0.73) JAK2BRD4CREBBPLRRK2CYP2C9
SCHEMBL5945605 0.79 JAK2 (0.70) JAK2BRD4ERN1CREBBPLRRK2
SCHEMBL17581408 0.76 JAK2 (0.62) JAK2BRD4CYP2C9GSK3B
SCHEMBL24096948 0.75 JAK2 (0.66) JAK2BRD4ERN1CREBBPLRRK2
SCHEMBL5953047 0.73 MAP2K4 (0.49) —
SCHEMBL13183133 0.72 HTR1D (0.43) JAK2ERN1DYRK1A
SCHEMBL17581420 0.72 JAK2 (0.61) JAK2BRD4ERN1CREBBPLRRK2
SCHEMBL13183156 0.72 JAK2 (0.61) JAK2GSK3BDYRK1A
SCHEMBL12515273 0.72 DYRK1A (0.40) JAK2GSK3BDYRK1A
SCHEMBL17581452 0.72 JAK2 (0.60) JAK2BRD4CREBBPCYP2C9

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-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2019-02-21 — — US disclosed
WO-2016097870-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-23 — — WO 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-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT JAK2 1812/4885BRD4 1/4885ERN1 1444/4885

“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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