SCHEMBL19961426

SCHEMBL19961426

Ic1cccnc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK14 Q16539 6/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ RAF1 P04049 3/20 0.41
▸ MAPK12 P53778 3/20 0.41
▸ MAPK11 Q15759 3/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ IDO1 P14902 3/20 0.37
▸ TDO2 P48775 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NSD3 Q9BZ95 1/20 0.37

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
SCHEMBL5700281 0.84 KDM4E (0.47) CYP11B1CYP11B2MAPTNOTUMHDAC8
SCHEMBL31092839 0.81 HDAC8 (0.45) LMNAMAPTMAPK14HDAC8CYP2A6
SCHEMBL29249875 0.81 HDAC8 (0.45) LMNAMAPTMAPK14HDAC8CYP2A6
SCHEMBL334754 0.79 CYP2A6 (0.61) CYP11B1CYP11B2LMNAMAPTIDO1
SCHEMBL20356938 0.77 MEN1 (0.54) CYP11B1CYP11B2LMNAMAPTMAPK14
SCHEMBL20357989 0.76 PTGS2 (0.50) CYP11B1CYP11B2LMNAMAPTMAPK14
SCHEMBL23278779 0.75 DYRK1A (0.42) MAPK14MAPK13MAPK12MAPK11TDO2
SCHEMBL5330253 0.75 KDM4E (0.65) LMNAKDM4ENPC1RAB9AL3MBTL1
SCHEMBL31517665 0.74 MAPK14 (0.53) CYP11B1CYP11B2LMNAMAPTMAPK14
SCHEMBL17505983 0.74 KDM4E (0.59) CYP11B1CYP11B2LMNAMAPTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10461263-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-29 — — US disclosed
US-20180076396-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-15 — — US 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-10461263-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNA1, CCNE2 CYP11B1 1976/4885CYP11B2 2466/4885LMNA 381/4885
US-20180076396-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNA1, CCNE2 CYP11B1 1976/4885CYP11B2 2466/4885LMNA 381/4885

“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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