SCHEMBL10136226

SCHEMBL10136226

c1ccc(-c2cc(Nc3cccc4ccccc34)cc(-c3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ FADS1 O60427 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ RAB9A P51151 2/20 0.50
▸ CCR4 P51679 1/20 0.49

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
SCHEMBL21234531 0.96 CDC25B (0.67) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL21234620 0.92 ALDH1A1 (0.71) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL17742371 0.89 CDC25B (0.72) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL24809293 0.88 CDC25B (0.70) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL10136239 0.88 ALDH1A1 (0.70) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL29629318 0.88 CDC25B (0.70) CDC25BCYP3A4ALDH1A1TP53HPGD
Biphenyl SCHEMBL4619027 0.87 ALDH1A1 (0.88) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL21234645 0.85 CDC25B (0.62) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL2794401 0.85 ALDH1A1 (0.78) CDC25BCYP3A4ALDH1A1TP53HPGD
SCHEMBL10034433 0.85 ALDH1A1 (0.78) CDC25BCYP3A4ALDH1A1TP53HPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735371-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-08-15 — — US disclosed
EP-2699641-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 — — US disclosed
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 — — US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 — — US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 — — US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 — — US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 — — US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 — — US disclosed
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — US disclosed
EP-1768199-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-03-28 — — EP 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 (4 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-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 CDC25B 1725/4885CYP3A4 2161/4885ALDH1A1 578/4885
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME NAT1, AFF1, AOC2 CDC25B 3144/4885CYP3A4 689/4885ALDH1A1 103/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 CDC25B 1886/4885CYP3A4 2331/4885ALDH1A1 645/4885
US-20080303417-A1 Aromatic Amine Derivative and Organic Electroluminescent Device Using Same DDC, AOC2, ALKBH2 CDC25B 1895/4885CYP3A4 2276/4885ALDH1A1 238/4885

“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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