SCHEMBL18201176

SCHEMBL18201176

c1ccc2c(c1)ccc1c(-c3ncc(-c4cccc5ncccc45)cn3)nc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
ERN1 O75460 2/20 0.41
TOP2A P11388 1/20 0.41
ATR Q13535 1/20 0.40
ACVR1 Q04771 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HTR2B P41595 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL18201166 0.93 CYP1A2 (0.51) CYP3A4CYP1A2TOP2AACVR1LMNA
SCHEMBL18201265 0.91 MAPT (0.43) CYP1A2TOP2AATRCA12CA9
SCHEMBL18200821 0.87 ERN1 (0.43) CYP3A4ERN1TOP2AATRACVR1
SCHEMBL18201308 0.85 MAPT (0.40) CYP1A2TOP2AATRCA12CA9
SCHEMBL18200667 0.85 ATR (0.43) CYP3A4CYP1A2ERN1TOP2AATR
SCHEMBL18200678 0.83 NPC1 (0.50) LMNANPC1MAPTRECQLRAB9A
SCHEMBL18200710 0.83 NPC1 (0.49) CYP1A2LMNANPC1MAPTRECQL
SCHEMBL18201311 0.83 ATR (0.45) CYP3A4CYP1A2ERN1TOP2AATR
SCHEMBL18201322 0.83 CYP3A4 (0.43) CYP3A4CYP1A2ERN1TOP2AATR
SCHEMBL18200675 0.82 CYP3A4 (0.40) CYP3A4CYP1A2ERN1TOP2AATR

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 CYP3A4 29/4885CYP1A2 134/4885ERN1 3509/4885

“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.