SCHEMBL18200828

SCHEMBL18200828

c1ccc2c(c1)ccc1c(-c3ccc(-c4ccnc5ccccc45)cn3)nc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CYP1A2 P05177 1/20 0.42
TGFBR1 P36897 6/20 0.42
GRM4 Q14833 3/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACVR1 Q04771 3/20 0.39
MAPK14 Q16539 4/20 0.39
BMP4 P12644 2/20 0.38
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
THRB P10828 1/20 0.36
IDO1 P14902 1/20 0.36
CYP3A4 P08684 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
SCHEMBL18200821 0.93 ERN1 (0.43) CA12CA1CA2CA9TGFBR1
SCHEMBL18201292 0.91 CYP1A2 (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL18200864 0.89 MEN1 (0.39) CA12CA9
SCHEMBL18201166 0.86 CYP1A2 (0.51) CYP1A2TGFBR1GRM4HTR2BMTNR1A
SCHEMBL18201306 0.86 CYP1A2 (0.45) CYP1A2TGFBR1GRM4HTR2BMTNR1A
SCHEMBL18200546 0.85 MAPT (0.40) CYP1A2CYP3A4
SCHEMBL18200871 0.85 MAPT (0.40)
SCHEMBL18201077 0.84 ACVR1 (0.42) CYP1A2TGFBR1GRM4HTR2BMTNR1A
SCHEMBL19227298 0.84 ERN1 (0.43) CA12CA1CA2CA9ACVR1
SCHEMBL18200667 0.84 ATR (0.43) CA12CA1CA2CA9CYP1A2

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 CA12 3881/4885CA1 4196/4885CA2 4563/4885

“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.