SCHEMBL19269554

SCHEMBL19269554

c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cncnc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHFR P00374 1/20 0.33
▸ RAC2 P15153 1/20 0.33
▸ RAC3 P60763 1/20 0.33
▸ CDC42 P60953 1/20 0.33
▸ RAC1 P63000 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ NPY5R Q15761 2/20 0.31
▸ ICMT O60725 1/20 0.31
▸ PADI4 Q9UM07 1/20 0.30

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
SCHEMBL19269547 0.91 ATM (0.38) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL19269494 0.91 ATM (0.37) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL19269847 0.89 ATM (0.36) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL19269536 0.88 ATM (0.41) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL19269825 0.88 ATM (0.41) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL10315675 0.88 ATM (0.45) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL10315692 0.88 ATM (0.45) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL14119376 0.88 ATM (0.45) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL10315676 0.88 ATM (0.45) ATMKDM4EL3MBTL1RAC2RAC3
SCHEMBL19270099 0.87 ATM (0.41) ATMKDM4EL3MBTL1TSPOICMT

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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 — — 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 ATM 3591/4885KDM4E 2444/4885L3MBTL1 206/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 ATM 1981/4885KDM4E 2858/4885L3MBTL1 24/4885

“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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