SCHEMBL16922296

SCHEMBL16922296

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ncnc6c5sc5ccccc56)cc34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 12/20 0.40
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ PIK3CA P42336 1/20 0.36
▸ EGFR P00533 4/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL16922300 0.99 LIMK1 (0.42) LIMK1CDK5CDK5R1PIK3CAEGFR
SCHEMBL16922582 0.90 LIMK1 (0.46) LIMK1CDK5CDK5R1PIK3CAEGFR
SCHEMBL22329632 0.87 MAPT (0.36) LIMK1
SCHEMBL22329635 0.87 PIM1 (0.36) LIMK1
SCHEMBL22329631 0.86 MAPT (0.35) LIMK1
SCHEMBL22196120 0.86 MAPT (0.35) LIMK1
SCHEMBL22195990 0.86 ALOX5 (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL22196018 0.86 ALOX5 (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL22195504 0.85 ALOX5 (0.36) LIMK1
SCHEMBL22195725 0.85 ALOX5 (0.36) LIMK1

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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