SCHEMBL24454201

SCHEMBL24454201

c1cnc2c(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)cc6n5)cc4n3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
CCR1 P32246 2/20 0.42
THPO P40225 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
PMP22 Q01453 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL24475552 0.97 CYP3A4 (0.44) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24453790 0.96 TOP1 (0.47) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24475526 0.95 BRD4 (0.43) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24454182 0.95 CCR1 (0.42) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24475574 0.95 CCR1 (0.42) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL22970601 0.94 TOP1 (0.47) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24454362 0.93 TOP1 (0.46) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24475561 0.92 NPC1 (0.45) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24453749 0.92 TOP1 (0.47) CYP3A4CYP2D6KDM4EGMNNTP53
SCHEMBL24475564 0.91 NPC1 (0.44) CYP3A4CYP2D6KDM4EGMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LT MATERIALS CO., LTD. (KR) 2022-05-26 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-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CRY1, CYP1A1, CYP1B1 CYP3A4 17/4885CYP2D6 46/4885KDM4E 2452/4885

“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.