SCHEMBL16922471

SCHEMBL16922471

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccnc6c5sc5ccccc56)c4)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 9/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ LIMK2 P53671 1/20 0.36
▸ EGFR P00533 4/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL16922539 0.99 LIMK1 (0.41) LIMK1CDK5CDK5R1ALOX5LIMK2
SCHEMBL16922473 0.95 LIMK1 (0.43) LIMK1CDK5CDK5R1ALOX5LIMK2
SCHEMBL21263398 0.90 LIMK1 (0.39) LIMK1CDK5CDK5R1ALOX5EGFR
SCHEMBL21032093 0.90 LIMK1 (0.42) LIMK1CDK5CDK5R1ALOX5EGFR
SCHEMBL19937172 0.89 CYP11B1 (0.36) LIMK1CDK5CDK5R1ALOX5LIMK2
SCHEMBL22763458 0.88 LIMK1 (0.41) LIMK1CDK5CDK5R1ALOX5EGFR
SCHEMBL19936966 0.88 KDM4E (0.40) LIMK1CDK5CDK5R1ALOX5LIMK2
SCHEMBL16922488 0.88 TNF (0.37) LIMK1LIMK2PIK3CA
SCHEMBL21263342 0.88 LIMK1 (0.38) LIMK1CDK5CDK5R1ALOX5LIMK2
SCHEMBL21263478 0.88 LIMK1 (0.38) LIMK1CDK5CDK5R1ALOX5EGFR

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-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 — — US disclosed
US-20150207082-A1 ORGANIC MATERIALS FOR OLEDS UNIVERSAL DISPLAY CORPORATION (US) 2015-07-23 — — 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-20150207082-A1 ORGANIC MATERIALS FOR OLEDS OCIAD1, OCIAD2, SLC25A21 LIMK1 4180/4885CDK5 1881/4885CDK5R1 2734/4885

“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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