SCHEMBL22762124

SCHEMBL22762124

c1ccc2c(c1)ccc1c3ccc4cccnc4c3[nH]c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
MAPT P10636 5/20 0.59
KIF11 P52732 1/20 0.53
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
GMNN O75496 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL22762137 0.89 MAPT (0.55) KDM4EMAPTKIF11LMNASMN1; SMN2
SCHEMBL8128555 0.85 KIF11 (0.61) KDM4EMAPTKIF11LMNASMN1; SMN2
SCHEMBL22761944 0.83 MAPT (0.59) KDM4EMAPTLMNASMN1; SMN2HTT
SCHEMBL22762131 0.82 KDM4E (0.55) KDM4EMAPTKIF11LMNASMN1; SMN2
SCHEMBL3837922 0.82 KIF11 (0.53) KDM4EMAPTKIF11LMNASMN1; SMN2
SCHEMBL11995709 0.82 PARP1 (0.55) KDM4EMAPTLMNASMN1; SMN2HTT
SCHEMBL25703698 0.81 KIF11 (0.61) KDM4EMAPTKIF11LMNASMN1; SMN2
SCHEMBL29368226 0.81 KIF11 (0.75) KDM4EKIF11SMN1; SMN2HTTCYP3A4
SCHEMBL5466693 0.81 KIF11 (0.75) KDM4EKIF11SMN1; SMN2HTTCYP3A4
SCHEMBL30914261 0.81 KIF11 (0.75) KDM4EKIF11SMN1; SMN2HTTCYP3A4

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-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-07-06 US disclosed
EP-3621970-B1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-13 EP disclosed
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-12-10 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-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices NDUFC1, MT-ND6, NDUFC2 KDM4E 4360/4885MAPT 2057/4885KIF11 2352/4885
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES NDUFC1, KCNC1, MT-ND6 KDM4E 4218/4885MAPT 2553/4885KIF11 2082/4885

“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.