SCHEMBL18200822

SCHEMBL18200822

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)nc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL18201053 0.93 MEN1 (0.45) ATMNPC1RAB9ACYP1A2MEN1
SCHEMBL18201291 0.92 ATM (0.43) ATMNPC1RAB9AHTTXBP1
SCHEMBL18201319 0.91 ATM (0.44) ATMNPC1RAB9AHTTXBP1
SCHEMBL18200820 0.88 MEN1 (0.43) ATMNPC1RAB9AHTTCYP1A2
SCHEMBL18201310 0.88 NPC1 (0.46) ATMNPC1RAB9AHTTXBP1
SCHEMBL18200392 0.87 AURKA (0.37) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL18200378 0.86 MEN1 (0.36) ATMNPC1RAB9ACYP1A2TDP1
SCHEMBL18201061 0.86 MAPT (0.41) ATMNPC1RAB9ACYP1A1CYP1B1
SCHEMBL18200394 0.85 CYP1A2 (0.44) NPSR1CYP1A2TDP1MEN1KMT2A
SCHEMBL18200375 0.85 METAP1 (0.43) NPC1RAB9ATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ATM 2923/4885NPC1 3875/4885RAB9A 2864/4885

“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.