SCHEMBL12788338

SCHEMBL12788338

Cc1nc2cc(NC(=O)OC(C)(C)C)ccc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ACSS2 Q9NR19 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ ELANE P08246 2/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NR1I3 Q14994 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL12788315 0.93 ACSS2 (0.46) CA12CA1CA9ACSS2BRD4
SCHEMBL12847190 0.83 KMT2A (0.39) BRD4TP53MEN1KMT2AGAA
SCHEMBL12788535 0.80 ACSS2 (0.44) CA12CA1CA9ACSS2BRD4
SCHEMBL12789429 0.80 KMT2A (0.42) CA12CA1CA9ACSS2BRD4
SCHEMBL12788549 0.78 BRD4 (0.43) BRD4MEN1KMT2ANPC1GAA
SCHEMBL12788559 0.78 KMT2A (0.41) ACSS2BRD4ELANECTRB1MEN1
SCHEMBL12788833 0.77 MAPT (0.47) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL12788964 0.76 PDK2 (0.44) NPC1ALDH1A1
SCHEMBL12788570 0.76 NPC1 (0.51) TP53MEN1KMT2ANPC1GAA
SCHEMBL12788563 0.76 ALDH1A1 (0.42) BRD4TP53MEN1KMT2ANPC1

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 CA12 4529/4885CA1 4708/4885CA9 2341/4885

“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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