SCHEMBL17658657

SCHEMBL17658657

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)sc4c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c6ccccc6c54)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 9/20 0.40
▸ APP P05067 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ F9 P00740 1/20 0.30

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
SCHEMBL17658656 0.99 LIMK1 (0.41) LIMK1APPPIK3CAPI4KAPI4KB
SCHEMBL17658306 0.99 LIMK1 (0.39) LIMK1APPPIK3CAPI4KAPI4KB
SCHEMBL17658248 0.96 LIMK1 (0.40) LIMK1APPPIM1PIM3PIM2
SCHEMBL17658661 0.96 LIMK1 (0.40) LIMK1APPPIM1PIM3PIM2
SCHEMBL22688115 0.96 LIMK1 (0.40) LIMK1APPPIK3CAPI4KAPI4KB
SCHEMBL17658250 0.95 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBMCL1
SCHEMBL17658156 0.95 LIMK1 (0.38) LIMK1APPKDM4EALDH1A1CYP1A2
SCHEMBL17658230 0.92 LIMK1 (0.38) LIMK1APPKDM4EALDH1A1CYP1A2
SCHEMBL17658108 0.92 LIMK1 (0.38) LIMK1APPKDM4EALDH1A1CYP1A2
SCHEMBL17658308 0.92 LIMK1 (0.38) LIMK1APPKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9856243-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-02 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — 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 (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-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, MCM4 LIMK1 828/4885APP 1031/4885PIK3CA 4446/4885

“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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