SCHEMBL16896782

SCHEMBL16896782

COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1-c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 3/20 0.41
▸ PDE1B Q01064 3/20 0.41
▸ PDE1C Q14123 3/20 0.41
▸ GRIN1 Q05586 3/20 0.40
▸ GRIN2B Q13224 3/20 0.40
▸ ALOX5AP P20292 4/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SYK P43405 4/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ INCENP Q9NQS7 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE6A P16499 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ NTRK2 Q16620 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
SCHEMBL16896777 0.86 GRIN1 (0.44) GRIN1GRIN2BSYKAURKBINCENP
SCHEMBL16896825 0.77 HTR2A (0.44) PDE1APDE1BPDE1CGRIN1GRIN2B
SCHEMBL16896909 0.76 BRD4 (0.44) GRIN1GRIN2B
SCHEMBL16896907 0.75 PLA2G2A (0.41) PDE1APDE1BPDE1CGRIN1GRIN2B
SCHEMBL16896917 0.74 BRD4 (0.42) GRIN1GRIN2B
SCHEMBL16896904 0.74 GRIN1 (0.39) PDE1APDE1BPDE1CGRIN1GRIN2B
SCHEMBL20373780 0.73 ALDH1A1 (0.37) PDE1APDE1BPDE1CGRIN1GRIN2B
SCHEMBL18317183 0.73 BRD4 (0.43) GRIN1GRIN2B
SCHEMBL16905847 0.73 BRD4 (0.60) —
SCHEMBL18326403 0.72 KDM4E (0.40) PDE1APDE1BPDE1CGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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 (4 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 PDE1A 142/4885PDE1B 160/4885PDE1C 448/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 PDE1A 142/4885PDE1B 160/4885PDE1C 448/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PDE1A 142/4885PDE1B 160/4885PDE1C 448/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PDE1A 142/4885PDE1B 160/4885PDE1C 448/4885

“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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