SCHEMBL17169593

SCHEMBL17169593

Cc1ccncc1N1c2ccccc2N(c2c(C(C)C)cccc2C(C)C)[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ CYP17A1 P05093 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ C5AR1 P21730 3/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL17169561 0.86 FLT3 (0.38) ALDH1A1ALOX15TSHRCYP17A1CYP1A2
SCHEMBL24631896 0.84 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169592 0.81 CYP17A1 (0.43) ALDH1A1TSHRCYP17A1CYP1A2FLT3
SCHEMBL17169637 0.81 SLC6A2 (0.34) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169587 0.80 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRC5AR1FAAH
SCHEMBL17169585 0.80 FLT3 (0.37) ALDH1A1ALOX15CYP17A1CYP1A2FLT3
SCHEMBL17169595 0.80 ALDH1A1 (0.34) ALDH1A1ALOX15TSHRHSP90AA1HSP90AB1
SCHEMBL17169574 0.79 CYP17A1 (0.41) ALDH1A1CYP17A1CYP1A2FLT3GSK3B
SCHEMBL17169564 0.79 FLT3 (0.37) ALDH1A1ALOX15TSHRCYP17A1CYP1A2
SCHEMBL17014632 0.79 FLT3 (0.37) ALDH1A1ALOX15TSHRCYP17A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 — — US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 — — US disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 — — US disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 — — US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 — — US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 — — 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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB ALDH1A1 889/4885ALOX15 4280/4885TSHR 3389/4885

“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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