SCHEMBL15906189

SCHEMBL15906189

COc1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.51
▸ PDE4B Q07343 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40

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
SCHEMBL15906128 0.88 HTT (0.50) KMT2ATSHRLMNAKDM4EHDAC7
SCHEMBL8054760 0.86 HDAC7 (0.55) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL3806916 0.85 MEN1 (0.50) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL15906093 0.82 RXFP1 (0.60) KMT2AMEN1RXFP1POLB
SCHEMBL15906134 0.79 KMT2A (0.48) KMT2AMEN1LMNAKDM4EHDAC7
SCHEMBL15906095 0.77 KMT2A (0.46) KMT2ALMNAHDAC7PDE4BMAPT
SCHEMBL15906119 0.77 TP53 (0.53) TSHRCYP1A2CYP3A4HPGDHTT
SCHEMBL15344109 0.75 RPS6KA3 (0.52) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL8066070 0.73 HTT (0.57) KMT2ATSHRLMNAKDM4EHDAC7
SCHEMBL15906155 0.73 MAPT (0.46) KMT2AMEN1GAALMNAKDM4E

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B KMT2A 1434/4885MEN1 3649/4885TSHR 3708/4885

“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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