SCHEMBL19199989

SCHEMBL19199989

CCc1ccc2oc(=O)n(C(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTR3A P46098 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CSNK1E P49674 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL22419351 0.88 KMT2A (0.35) KDM4EALDH1A1HTR3AKCNH2CYP1A2
SCHEMBL17807790 0.79 TBK1 (0.31) TSHRHSD17B10HPGD
SCHEMBL25516788 0.76 KDM4E (0.32) KDM4EALDH1A1PIK3CD
SCHEMBL5956295 0.71 KDM4E (0.50) KDM4EALDH1A1GSK3B
SCHEMBL23507961 0.71 CDK4 (0.42) —
SCHEMBL19200146 0.71 POLB (0.44) KDM4EPOLB
SCHEMBL20251396 0.71 CSNK1E (0.39) KDM4EALDH1A1POLBCYP1A2CYP3A4
SCHEMBL22419358 0.70 PIK3CD (0.32) PIK3CD
SCHEMBL8218370 0.69 MIF (0.50) ALDH1A1POLBTSHR
SCHEMBL17807741 0.69 — —

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-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 — — US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 — — 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 KDM4E 410/4885ALDH1A1 4510/4885HTR3A 3371/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KDM4E 367/4885ALDH1A1 4568/4885HTR3A 3717/4885

“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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