SCHEMBL17169592

SCHEMBL17169592

Cc1ccncc1N1c2ccccc2N(c2c(-c3ccccc3)cccc2-c2ccccc2)[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 9/20 0.43
▸ CYP1A2 P05177 9/20 0.43
▸ TNF P01375 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP46A1 Q9Y6A2 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATM Q13315 1/20 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
SCHEMBL17169561 0.85 FLT3 (0.38) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17169632 0.81 RAB9A (0.33) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17169574 0.81 CYP17A1 (0.41) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17169568 0.81 CYP17A1 (0.34) CYP17A1CYP1A2ALDH1A1GRM4NPC1
SCHEMBL17169593 0.81 ALDH1A1 (0.35) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17169580 0.80 CYP17A1 (0.41) CYP17A1CYP1A2TNFKDM4EHPGD
SCHEMBL17169564 0.78 FLT3 (0.37) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17014632 0.78 FLT3 (0.37) CYP17A1CYP1A2TDP1KDM4EHPGD
SCHEMBL17169563 0.77 ALDH1A1 (0.32) ALDH1A1NPC1TSHRAHRRAB9A
SCHEMBL17169631 0.77 LDHA (0.33) KDM4EHPGDALDH1A1NPC1TSHR

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 CYP17A1 4698/4885CYP1A2 1813/4885TNF 4883/4885

“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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