SCHEMBL18267225

SCHEMBL18267225

CC1(C)c2ccc(-c3ccccn3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.42
▸ BRD4 O60885 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ TNKS O95271 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 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
SCHEMBL18267223 0.93 PDK2 (0.49) PDK2BRD4DHODHTNKSCYP1A2
SCHEMBL17206440 0.88 PDK2 (0.45) PDK2BRD4DHODHTNKSCYP1A2
SCHEMBL17206415 0.86 PDK2 (0.44) PDK2BRD4DHODHBACE1PRMT5
SCHEMBL14065151 0.85 PDK2 (0.56) PDK2TNKSCYP1A2CYP2D6CYP19A1
SCHEMBL17426592 0.84 PDK2 (0.49) PDK2BRD4DHODHCYP1A2CYP2D6
SCHEMBL17206476 0.84 KDM4E (0.45) PDK2BRD4DHODHCYP1A2PIK3CD
SCHEMBL17206425 0.83 PDK2 (0.44) PDK2BRD4DHODHCYP1A2KDM4E
SCHEMBL23996404 0.82 PDK2 (0.43) PDK2TNKSCYP1A2CYP2D6CYP19A1
SCHEMBL17206419 0.82 PDK2 (0.43) PDK2BRD4DHODHKDM4EPRMT5
SCHEMBL17206416 0.82 PDK2 (0.40) PDK2BRD4KDM4EPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9893305-B2 Indenotriphenylene-based iridium complexes for organic electroluminescence device UDC IRELAND LIMITED (IE) 2018-02-13 — — US disclosed
US-9893305-B2 Indenotriphenylene-based iridium complexes for organic electroluminescence device UDC IRELAND LIMITED (IE) 2018-02-13 — — US disclosed
US-20160351835-A1 INDENOTRIPHENYLENE-BASED IRIDIUM COMPLEXES FOR ORGANIC ELECTROLUMINESCENCE DEVICE UDC IRELAND LIMITED (IE) 2016-12-01 — — US disclosed
US-20160351835-A1 INDENOTRIPHENYLENE-BASED IRIDIUM COMPLEXES FOR ORGANIC ELECTROLUMINESCENCE DEVICE UDC IRELAND LIMITED (IE) 2016-12-01 — — 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-20160351835-A1 INDENOTRIPHENYLENE-BASED IRIDIUM COMPLEXES FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, IDO1, CCNE2 PDK2 806/4885BRD4 81/4885DHODH 1907/4885

“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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