SCHEMBL21882472

SCHEMBL21882472

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccccn5)cc4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 3/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL20220350 0.98 CYP1A2 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21882439 0.94 TDP1 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21882415 0.94 MAPK1 (0.55) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21882473 0.91 MAPT (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL25985495 0.91 MAPT (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21882479 0.90 TDP1 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17598584 0.89 KDM4E (0.61) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21882396 0.88 MAOA (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2194874 0.88 CYP1A2 (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19009529 0.88 KDM4E (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
EP-3330265-B1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP 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-11730009-B2 Compound and organic light-emitting element comprising same CRY2, CRY1, NR2E3 CYP1A2 307/4885CYP2D6 516/4885CYP19A1 366/4885

“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.