SCHEMBL18200667

SCHEMBL18200667

c1ccc2c(c1)ccc1c(-c3ccc(-c4cccc5ncccc45)nc3)nc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
CYP3A4 P08684 1/20 0.40
ERN1 O75460 1/20 0.39
TOP2A P11388 1/20 0.39
ACVR1 Q04771 2/20 0.37
FTO Q9C0B1 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
FYN P06241 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NPC1 O15118 1/20 0.36
MAP4K1 Q92918 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CNR2 P34972 1/20 0.35
CYP1A2 P05177 1/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL18201292 0.93 CYP1A2 (0.42) ATRCYP3A4ACVR1CA12CA1
SCHEMBL18201042 0.92 MEN1 (0.39) ATRTOP2ACA12CA9NPC1
SCHEMBL18200821 0.91 ERN1 (0.43) ATRCYP3A4ERN1TOP2AACVR1
SCHEMBL18200477 0.87 MEN1 (0.38) ATRTOP2ACA12CA9NPC1
SCHEMBL18201311 0.87 ATR (0.45) ATRCYP3A4ERN1TOP2AFTO
SCHEMBL19227298 0.86 ERN1 (0.43) ATRCYP3A4ERN1TOP2AACVR1
SCHEMBL18201176 0.85 CYP3A4 (0.43) ATRCYP3A4ERN1TOP2AACVR1
SCHEMBL18200475 0.84 HPGDS (0.41) NPC1CYP1A2TGFBR1
SCHEMBL18200723 0.84 MAPT (0.35) ATRTOP2ACA12CA9NPC1
SCHEMBL18200828 0.84 CA12 (0.47) CYP3A4ACVR1CA12CA1CA2

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 ATR 2088/4885CYP3A4 29/4885ERN1 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.