SCHEMBL20230630

SCHEMBL20230630

CC1(C)c2cc(-c3cccc(-c4cccnc4)n3)ccc2Sc2ccc(C3c4ccccc4C(C)(C)c4ccccc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
DRD2 P14416 1/20 0.37
CYP19A1 P11511 3/20 0.37
PDK2 Q15119 2/20 0.34
KDM1A O60341 1/20 0.34
KARS1 Q15046 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PTK2 Q05397 1/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
PRKACA P17612 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
SCHEMBL20230589 0.83 CYP2A6 (0.38) CYP2A6CYP19A1PDK2KARS1HSP90AA1
SCHEMBL20230639 0.83 BACE1 (0.40) CYP2A6CYP19A1PDK2KARS1HSP90AA1
SCHEMBL20230647 0.80 BACE1 (0.38) CYP2A6CYP19A1PDK2KARS1HSP90AA1
SCHEMBL20230633 0.80 MEN1 (0.42) CYP2C19
SCHEMBL22871857 0.79 CYP2A6 (0.38) CYP2A6DRD2CYP19A1PDK2KARS1
SCHEMBL20230593 0.78 MEN1 (0.40) CYP2C19
SCHEMBL20230702 0.78 CYP19A1 (0.45) CYP19A1PDK2KDM1ABACE1CYP17A1
SCHEMBL20230698 0.75 CYP19A1 (0.44) CYP19A1PDK2KDM1ABACE1CYP17A1
SCHEMBL20230592 0.73 MEN1 (0.44) CYP2C9CYP2C19
SCHEMBL20230706 0.72 CYP19A1 (0.41) CYP19A1PDK2KDM1ABACE1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-12 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 CYP2A6 3284/4885DRD2 2922/4885CYP19A1 305/4885
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CCNT1 CYP2A6 3284/4885DRD2 2922/4885CYP19A1 305/4885

“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.