SCHEMBL19937005

SCHEMBL19937005

Clc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccnc3c2sc2ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.37
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ EGFR P00533 4/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ NR1I3 Q14994 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL21263398 0.92 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936966 0.87 KDM4E (0.40) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936993 0.87 CYP11B1 (0.39) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL16922471 0.87 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL21032093 0.86 LIMK1 (0.42) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19937303 0.86 LIMK1 (0.40) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL16922539 0.86 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL21263482 0.85 CYP11B1 (0.38) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL19936951 0.85 LIMK1 (0.37) LIMK1CDK5CDK5R1EGFRHTR2C
SCHEMBL22763458 0.85 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRHTR2C

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-11279709-B2 Specifically substituted aza-dibenzofurans and aza-dibenzothiophenes for organic electronic devices IDEMITSU KOSAN CO., LTD. (JP) 2022-03-22 — — 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
US-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2019-08-15 — — US disclosed
WO-2018043761-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO.,LTD. (JP) 2018-03-08 — — WO 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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES CDY1; CDY1B, CDYL, CBX8 LIMK1 3482/4885CDK5 4302/4885CDK5R1 3781/4885
US-11279709-B2 Specifically substituted aza-dibenzofurans and aza-dibenzothiophenes for organic electronic devices CDY1; CDY1B, CDYL, CBX8 LIMK1 3448/4885CDK5 4294/4885CDK5R1 3778/4885

“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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