SCHEMBL18201085

SCHEMBL18201085

c1ccc(-c2cn3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)cc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.44
▸ SCD O00767 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALDH1A3 P47895 2/20 0.36
▸ ALDH1A1 P00352 4/20 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
SCHEMBL18200437 0.94 SCD (0.46) TLR9SCDPLK4JAK2RET
SCHEMBL18201097 0.89 BACE1 (0.47) BACE1BACE2SMN1; SMN2TP53ALDH1A3
SCHEMBL18201096 0.89 BACE1 (0.51) BACE1BACE2SMN1; SMN2TP53ALDH1A1
SCHEMBL18201092 0.87 ALDH1A3 (0.53) SMN1; SMN2TP53ALDH1A3ALDH1A1ALDH1A2
SCHEMBL18200677 0.86 TLR9 (0.39) TLR9SCDPLK4JAK2RET
SCHEMBL17915391 0.85 TLR9 (0.46) TLR9SCDPLK4JAK2RET
SCHEMBL18200439 0.85 BACE1 (0.49) BACE1BACE2SMN1; SMN2TP53ALDH1A1
SCHEMBL18847237 0.84 TLR9 (0.39) TLR9SCDPLK4JAK2RET
SCHEMBL18847432 0.84 TLR9 (0.39) TLR9SCDPLK4JAK2RET
SCHEMBL21934584 0.83 SCD (0.46) TLR9SCDPLK4JAK2RET

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 TLR9 4120/4885SCD 976/4885PLK4 4626/4885

“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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