SCHEMBL18201274

SCHEMBL18201274

c1cc(-c2ccnc3ccccc23)nc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.44
MAPK14 Q16539 8/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TOP2A P11388 1/20 0.37
TGFBR2 P37173 1/20 0.37
ABL2 P42684 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL18201276 0.94 CYP3A4 (0.44) TGFBR1MAPK14CYP3A4ALDH1A1TOP2A
SCHEMBL18200906 0.88 MEN1 (0.43) TGFBR1CYP1A2CYP3A4KDM4ENPC1
SCHEMBL18201306 0.87 CYP1A2 (0.45) TGFBR1MAPK14CYP1A2CYP3A4IDO1
SCHEMBL18201282 0.85 KDM4E (0.40) TGFBR1MAPK14CYP1A2CYP3A4KDM4E
SCHEMBL18201311 0.82 ATR (0.45) CYP1A2CYP3A4IDO1NPC1ALDH1A1
SCHEMBL18201077 0.82 ACVR1 (0.42) TGFBR1MAPK14CYP1A2CYP3A4IDO1
SCHEMBL18200828 0.81 CA12 (0.47) TGFBR1MAPK14CYP1A2CYP3A4IDO1
SCHEMBL18201292 0.81 CYP1A2 (0.42) TGFBR1MAPK14CYP1A2CYP3A4IDO1
SCHEMBL18200904 0.81 RAB9A (0.48) CYP1A2CYP3A4KDM4ENPC1ALDH1A1
SCHEMBL18201065 0.80 ERN1 (0.43) TGFBR1CYP1A2CYP3A4IDO1KDM4E

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 TGFBR1 3161/4885MAPK14 4612/4885CYP1A2 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.