SCHEMBL19937278

SCHEMBL19937278

c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ LIMK1 P53667 4/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MAPT P10636 3/20 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
SCHEMBL21263330 0.99 CYP1A1 (0.39) CYP1A1CYP1B1LIMK1CYP1A2CTRC
SCHEMBL21263479 0.98 CYP1A1 (0.39) CYP1A1CYP1B1LIMK1CYP1A2CTRC
SCHEMBL19937279 0.96 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1CYP1A2PIM1
SCHEMBL19936947 0.96 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1CYP1A2PIM1
SCHEMBL21263357 0.96 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1CYP1A2PIM1
SCHEMBL19937165 0.94 TSHR (0.38) CYP1A1CYP1B1LIMK1ALDH1A1KDM4E
SCHEMBL21263341 0.94 CYP1A1 (0.37) CYP1A1CYP1B1LIMK1CYP1A2MEN1
SCHEMBL19936968 0.94 CYP1A1 (0.37) CYP1A1CYP1B1LIMK1CYP1A2PIM1
SCHEMBL19937231 0.93 CYP1A1 (0.39) CYP1A1CYP1B1LIMK1CYP1A2CTRC
SCHEMBL19936951 0.93 LIMK1 (0.37) LIMK1CYP1A2MEN1KMT2AALDH1A1

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 CYP1A1 824/4885CYP1B1 412/4885LIMK1 3482/4885

“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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