SCHEMBL22148688

SCHEMBL22148688

Nc1ccc2nc(-c3cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)c3)c(-c3ccccc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.69
▸ ATM Q13315 1/20 0.69
▸ TLR9 Q9NR96 1/20 0.69
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ PIK3CG P48736 1/20 0.50
▸ DHFR P00374 11/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ AKT2 P31751 1/20 0.49
▸ TYMS P04818 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1229501 0.91 KDM4E (0.60) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL31070214 0.88 KDM4E (0.64) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL11792682 0.83 KMT2A (1.00) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL12352239 0.83 KDM4E (0.69) KDM4EALDH1A1DHFRAKT1AKT2
SCHEMBL17450954 0.81 DHFR (0.50) KDM4EDHFRTYMS
SCHEMBL21563928 0.81 TLR9 (0.49) TLR9KDM4EDHFRTYMS
SCHEMBL22288252 0.80 KMT2A (0.93) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL22288238 0.80 KMT2A (0.93) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL29831706 0.80 KMT2A (0.93) KMT2AATMTLR9KDM4EALDH1A1
SCHEMBL29831570 0.80 KMT2A (0.93) KMT2AATMTLR9KDM4EALDH1A1

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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 — — 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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 KMT2A 4367/4885ATM 2778/4885TLR9 3851/4885

“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.

Send feedback