SCHEMBL18018099

SCHEMBL18018099

c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PIM1 P11309 3/20 0.36
▸ PIM2 Q9P1W9 3/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ TNKS O95271 3/20 0.36
▸ TNKS2 Q9H2K2 3/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ F9 P00740 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAP3K8 P41279 1/20 0.34
▸ GP6 Q9HCN6 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
SCHEMBL18018102 0.99 LIMK1 (0.37) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18018101 0.99 LIMK1 (0.37) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL16902305 0.97 LIMK1 (0.36) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18018095 0.95 LIMK1 (0.35) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18018096 0.94 LIMK1 (0.34) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18018097 0.94 LIMK1 (0.34) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18018098 0.94 ALOX5 (0.36) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18273103 0.94 ALOX5 (0.43) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL16901974 0.93 ALDH1A1 (0.37) LIMK1ALOX5PIM1PIM2PIM3
SCHEMBL18273104 0.93 ALOX5 (0.42) LIMK1ALOX5PIM1PIM2PIM3

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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — 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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 LIMK1 224/4885ALOX5 265/4885PIM1 2298/4885

“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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