SCHEMBL18200407

SCHEMBL18200407

CCc1nc2ccccc2n1-c1ccc(-c2cccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CACNA2D1 P54289 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL18200405 0.95 PDE10A (0.40) PDE10ACYP1A2MEN1KMT2AKDM4E
SCHEMBL18201063 0.94 PDE10A (0.42) PDE10ACYP1A2CACNA2D1MEN1KMT2A
SCHEMBL18201066 0.94 PDE10A (0.43) PDE10ACYP1A2CACNA2D1MEN1KMT2A
SCHEMBL18201083 0.93 PDE10A (0.40) PDE10ACYP1A2MEN1KMT2AKDM4E
SCHEMBL18200406 0.93 PDE10A (0.41) PDE10ACYP1A2MEN1KMT2AKDM4E
SCHEMBL18201067 0.89 ESR1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL18201168 0.88 PDE10A (0.41) PDE10ACYP1A2CACNA2D1MEN1KMT2A
SCHEMBL21934646 0.85 MEN1 (0.40) PDE10ACYP1A2CACNA2D1MEN1KMT2A
SCHEMBL21934886 0.85 MEN1 (0.40) PDE10ACYP1A2CACNA2D1MEN1KMT2A
SCHEMBL21933885 0.85 MEN1 (0.40) PDE10ACYP1A2CACNA2D1MEN1KMT2A

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 PDE10A 3021/4885CYP1A2 134/4885CACNA2D1 516/4885

“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.

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