SCHEMBL10154332

SCHEMBL10154332

CNCc1ccnc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 7/20 0.43
▸ NOS1 P29475 3/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NOS3 P29474 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ SLC2A4 P14672 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ TYK2 P29597 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33

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
SCHEMBL22838170 0.82 SLC2A4 (0.37) NOS1CYP3A4NOS3NOS2SLC2A4
SCHEMBL5361830 0.81 MAPT (0.55) ADRB2KDM4EMAPT
SCHEMBL12213655 0.79 PRMT6 (0.46) PRMT6NOS1EPHX2ADRB2KDM4E
SCHEMBL14076165 0.78 PRMT6 (0.42) PRMT6NOS1EPHX2ADRB2KDM4E
SCHEMBL8485243 0.78 UHRF1 (0.46) PRMT6EPHX2ADRB2KDM4ECYP3A4
SCHEMBL805466 0.77 — —
SCHEMBL23891936 0.76 CYP1A2 (0.44) PRMT6NOS1EPHX2ADRB2KDM4E
SCHEMBL20788186 0.76 PRMT6 (0.43) PRMT6NOS1EPHX2ADRB2KDM4E
SCHEMBL14076711 0.76 PRMT6 (0.43) PRMT6NOS1EPHX2ADRB2KDM4E
SCHEMBL428905 0.76 LOXL2 (0.57) PRMT6EPHX2ADRB2KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 — — WO disclosed
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 — — US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 — — US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 — — EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 — — 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 (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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PRMT6 4271/4885NOS1 2204/4885EPHX2 1041/4885
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 PRMT6 3835/4885NOS1 2175/4885EPHX2 2306/4885

“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.

Send feedback