SCHEMBL19266367

SCHEMBL19266367

c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc8ccc(-c9ccc%10ccccc%10c9)cc8c7)cc6ccc54)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TUBB4A P04350 1/20 0.34

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
SCHEMBL19428812 1.00 CYP1A1 (0.41) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19266314 0.99 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19266312 0.99 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19428804 0.99 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19266998 0.99 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19266326 0.97 KMT2A (0.39) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19428807 0.97 KMT2A (0.39) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19266323 0.95 KMT2A (0.40) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19428808 0.95 KMT2A (0.40) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19428815 0.94 MAPT (0.39) CYP1A1CYP1B1MEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 — — US disclosed
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 — — US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 — — US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 — — US disclosed
EP-3208271-A2 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2017-08-23 — — 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 (2 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-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) PER2, CRY1, CRY2 CYP1A1 474/4885CYP1B1 666/4885MEN1 309/4885
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same NPM1, PER2, CRY1 CYP1A1 1043/4885CYP1B1 1070/4885MEN1 228/4885

“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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