SCHEMBL19937280

SCHEMBL19937280

c1ccc(-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4sc4ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ LIMK2 P53671 1/20 0.33
▸ HTR2B P41595 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ S1PR4 O95977 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
SCHEMBL19936951 0.99 LIMK1 (0.37) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263342 0.98 LIMK1 (0.38) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263418 0.93 CYP11B1 (0.35) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263330 0.93 CYP1A1 (0.39) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263331 0.92 HSD17B10 (0.38) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL19936947 0.92 CYP1A1 (0.38) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL19937279 0.92 CYP1A1 (0.38) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL19937278 0.92 CYP1A1 (0.41) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263357 0.92 CYP1A1 (0.38) LIMK1KDM4EMEN1ALDH1A1TP53
SCHEMBL21263398 0.90 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRALOX5

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-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 (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 3482/4885KDM4E 212/4885MEN1 3094/4885

“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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