SCHEMBL20733793

SCHEMBL20733793

c1ccc2nc(-c3nnc4c5cccnc5c5ncccc5c4n3)ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CCR1 P32246 4/20 0.37
▸ CCR8 P51685 4/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ DHFR P00374 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CCR5 P51681 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL20733788 0.91 CYP1A2 (0.43) CYP1A2LMNAALDH1A1CYP3A4NPC1
SCHEMBL20733786 0.87 CYP1A2 (0.47) CYP1A2LMNAALDH1A1CCR1CCR8
SCHEMBL20733787 0.85 CYP1A2 (0.42) CYP1A2LMNACCR1CCR8L3MBTL1
SCHEMBL20733796 0.84 L3MBTL1 (0.48) LMNAKDM4EALDH1A1CCR1CCR8
SCHEMBL20733794 0.84 CYP1A2 (0.47) CYP1A2LMNAKDM4EGPR3ALDH1A1
SCHEMBL20733785 0.77 CYP1A2 (0.41) CYP1A2LMNADHFRNPC1MAPT
SCHEMBL11329633 0.75 CYP1A2 (0.58) CYP1A2LMNAKDM4EGPR3ALDH1A1
SCHEMBL30527184 0.75 CYP1A2 (0.60) CYP1A2LMNAKDM4EGPR3ALDH1A1
SCHEMBL30198446 0.75 CYP1A2 (0.60) CYP1A2LMNAKDM4EGPR3ALDH1A1
SCHEMBL1672650 0.75 CYP1A2 (0.60) CYP1A2LMNAKDM4EGPR3ALDH1A1

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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-02-23 — — US disclosed
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-02-14 — — 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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 CYP1A2 869/4885LMNA 4317/4885KDM4E 655/4885
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 CYP1A2 869/4885LMNA 4317/4885KDM4E 655/4885

“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