SCHEMBL18201276

SCHEMBL18201276

c1cc(-c2cccc3ncccc23)nc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
TOP2A P11388 1/20 0.41
ATR Q13535 1/20 0.41
FTO Q9C0B1 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
TGFBR1 P36897 4/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ERN1 O75460 1/20 0.37
BPTF Q12830 1/20 0.37
P2RX7 Q99572 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 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
SCHEMBL18201274 0.94 TGFBR1 (0.44) CYP3A4TOP2ATGFBR1MAPK14ALDH1A1
SCHEMBL18200906 0.90 MEN1 (0.43) CYP3A4TOP2AFTOTGFBR1MEN1
SCHEMBL18201311 0.89 ATR (0.45) CYP3A4TOP2AATRFTOKDM5B
SCHEMBL18200821 0.83 ERN1 (0.43) CYP3A4TOP2AATRFTOKDM5B
SCHEMBL18201065 0.83 ERN1 (0.43) CYP3A4TOP2AATRTGFBR1PDE10A
SCHEMBL18200667 0.83 ATR (0.43) CYP3A4TOP2AATRFTOKDM5B
SCHEMBL18201282 0.82 KDM4E (0.40) CYP3A4TOP2ATGFBR1MAPK14LMNA
SCHEMBL18201322 0.81 CYP3A4 (0.43) CYP3A4TOP2AATRLMNAPDE10A
SCHEMBL18201176 0.81 CYP3A4 (0.43) CYP3A4TOP2AATRLMNAPDE10A
SCHEMBL17034862 0.81 NPC1 (0.46) CYP3A4TGFBR1LMNAALDH1A1

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 29/4885TOP2A 3861/4885ATR 2088/4885

“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.