SCHEMBL18200740

SCHEMBL18200740

c1cc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
PIM1 P11309 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
NPC1 O15118 1/20 0.37
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 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
SCHEMBL18200846 1.00 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18346949 0.99 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18200432 0.99 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18201116 0.96 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18201226 0.95 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18200834 0.95 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18201212 0.95 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL17034883 0.94 MEN1 (0.43) CYP1A2ALDH1A1MAPTHPGDMEN1
SCHEMBL18201130 0.93 ALDH1A1 (0.43) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL18200586 0.93 ALDH1A1 (0.41) CYP1A2ALDH1A1MAPTHPGDMEN1

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 CYP1A1 84/4885CYP1B1 109/4885CYP1A2 134/4885

“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.