SCHEMBL21042627

SCHEMBL21042627

CNc1cc2c(cc1N)C(C)(C)CCC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.34
▸ RXRA P19793 9/20 0.33
▸ RARB P10826 5/20 0.33
▸ RARG P13631 5/20 0.33
▸ RARA P10276 4/20 0.33
▸ RXRB P28702 3/20 0.33
▸ RXRG P48443 3/20 0.33
▸ CYP1A2 P05177 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP26A1 O43174 3/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL19831160 0.85 RXRA (0.37) RXRARARBRARGRARARXRB
SCHEMBL19561619 0.84 PRKCI (0.34) PRKCI
SCHEMBL9867812 0.80 PTK2 (0.44) RXRARARBRARGRARARXRB
SCHEMBL19775121 0.78 PRKCI (0.35) PRKCI
SCHEMBL26592538 0.78 RXRA (0.44) RXRARARBRARGRARARXRB
SCHEMBL5085231 0.75 PRKCI (0.45) PRKCICYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL12279937 0.74 PRKCI (0.33) PRKCI
SCHEMBL21154376 0.73 PTK2 (0.47) PRKCICYP1A2TP53CYP3A4ALDH1A1
SCHEMBL330594 0.72 CYP3A4 (0.44) RXRARARBRARGRARARXRB
SCHEMBL21440625 0.72 RXRA (0.38) RXRARARBRARGRARARXRB

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
EP-3487864-B1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-04-29 — — EP disclosed
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-05-30 — — 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-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MCU, AP3M1, AP2M1 PRKCI 2632/4885RXRA 3511/4885RARB 3159/4885

“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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