SCHEMBL21263398

SCHEMBL21263398

c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccnc4c3sc3ccccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 6/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ EGFR P00533 4/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ KRAS P01116 1/20 0.34
▸ TNKS O95271 2/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MAPT P10636 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
SCHEMBL19937303 0.92 LIMK1 (0.40) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19937005 0.92 LIMK1 (0.37) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL16922539 0.91 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL22763458 0.91 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL21263482 0.91 CYP11B1 (0.38) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936951 0.91 LIMK1 (0.37) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936966 0.91 KDM4E (0.40) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936993 0.91 CYP11B1 (0.39) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL21263342 0.90 LIMK1 (0.38) LIMK1CDK5CDK5R1ALOX5ROCK1
SCHEMBL16922473 0.90 LIMK1 (0.43) LIMK1CDK5CDK5R1EGFRPIK3CA

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-20200388768-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
US-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2019-08-15 — — 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 (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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES CDY1; CDY1B, CDYL, CBX8 LIMK1 3482/4885CDK5 4302/4885CDK5R1 3781/4885

“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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