SCHEMBL12150832

SCHEMBL12150832

O=P(c1ccccn1)(N1c2ccccc2Oc2ccccc21)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 11/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CHRM1 P11229 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL17189561 0.74 P2RX4 (0.47) P2RX4CA2
SCHEMBL30462881 0.67 SMN1; SMN2 (0.47) P2RX4
SCHEMBL5487603 0.67 SMN1; SMN2 (0.47) P2RX4
SCHEMBL17189020 0.67 P2RX4 (0.47) P2RX4CA2
SCHEMBL1204670 0.66 CA1 (0.58) CA1CA2
SCHEMBL12150701 0.65 P2RX4 (0.38) P2RX4
SCHEMBL12150826 0.65 CA1 (0.42) CA1CA2
SCHEMBL20276997 0.63 KDM4E (0.43) P2RX4FLT3GSK3B
SCHEMBL12441758 0.63 CA1 (0.54) CA1CA2
SCHEMBL1400873 0.63 CA2 (0.54) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220020937-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-20 — — US disclosed
US-11145823-B2 Heterocyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 — — US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — 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-11145823-B2 Heterocyclic compound and organic light emitting device including the same TRPC1, ODC1, DDT P2RX4 905/4885CA1 2763/4885CA2 2753/4885
US-20220020937-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, ODC1, DDT P2RX4 943/4885CA1 2630/4885CA2 2560/4885

“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