SCHEMBL18017741

SCHEMBL18017741

c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)c3)nc3c2sc2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.39
▸ TNKS2 Q9H2K2 3/20 0.39
▸ LIMK1 P53667 3/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ WHR1 P49842 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ KRAS P01116 1/20 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
SCHEMBL18017743 0.99 TNKS (0.38) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18017652 0.99 TNKS (0.38) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18017661 0.99 TNKS (0.38) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL16902211 0.97 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18017912 0.97 TNKS (0.40) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18370252 0.97 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18017647 0.97 WHR1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL16902213 0.97 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL18158330 0.97 MEN1 (0.41) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL16902313 0.97 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1

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-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — 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
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 (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-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 TNKS 4700/4885TNKS2 4494/4885LIMK1 171/4885
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 TNKS 4644/4885TNKS2 4726/4885LIMK1 224/4885

“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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