SCHEMBL16629749

SCHEMBL16629749

Brc1cccc2cnc3cccnc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ THPO P40225 1/20 0.41

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
SCHEMBL16629653 0.86 LMNA (0.43) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL24926334 0.79 KDM4E (0.46) KDM4ELMNASMN1; SMN2CYP3A4MAPT
SCHEMBL21622825 0.79 KDM4E (0.46) KDM4ELMNASMN1; SMN2CYP3A4MAPT
SCHEMBL31170763 0.78 LMNA (0.58) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL2336321 0.78 LMNA (0.58) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL21622828 0.77 KMT2A (0.46) KDM4ELMNASMN1; SMN2NPC1CYP3A4
SCHEMBL18099778 0.75 CCR1 (0.58) KDM4ELMNASMN1; SMN2NPC1CYP3A4
SCHEMBL196509 0.75 LMNA (0.64) KDM4ELMNASMN1; SMN2NPC1RAB9A
Water SCHEMBL28285432 0.73 LMNA (0.61) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL31330058 0.72 KDM4E (0.44) KDM4ELMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO disclosed
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 — — WO 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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885LMNA 2903/4885SMN1; SMN2 4271/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885LMNA 2903/4885SMN1; SMN2 4271/4885

“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.

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