SCHEMBL9975409

SCHEMBL9975409

c1cncc(-c2cc(C3=NCC(c4ccc(-c5cnc(-c6ccnc(-c7cccnc7)c6)s5)cc4)S3)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
CYP2A6 P11509 1/20 0.38
PRKDC P78527 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP19A1 P11511 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
LRRK2 Q5S007 1/20 0.34
FHIT P49789 1/20 0.34
USP30 Q70CQ3 1/20 0.33
IKBKB O14920 1/20 0.33
RARA P10276 1/20 0.33
PIM1 P11309 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
SCHEMBL12639177 0.83 HPGDS (0.39) HPGDSCYP2A6PRKDCCYP19A1
SCHEMBL9973741 0.82 HPGDS (0.56) HPGDSHSD17B1HSD17B2CYP2A6CYP3A4
SCHEMBL9973743 0.72 HPGDS (0.53) HPGDSHSD17B1HSD17B2CYP2A6PRKDC
SCHEMBL9973730 0.72 HPGDS (0.58) HPGDSHSD17B1HSD17B2CYP2A6PRKDC
SCHEMBL9973768 0.70 HPGDS (0.53) HPGDSHSD17B1HSD17B2CYP2A6PRKDC
SCHEMBL9973764 0.69 HPGDS (0.46) HPGDSHSD17B1HSD17B2CYP2A6PRKDC
SCHEMBL9973721 0.68 HPGDS (0.60) HPGDSHSD17B1HSD17B2CYP2A6PRKDC
SCHEMBL12638012 0.67 PRKDC (0.39) HPGDSCYP2A6PRKDCCYP19A1
SCHEMBL9973771 0.67 HPGDS (0.62) HPGDSHSD17B1HSD17B2CYP2A6CYP3A4
SCHEMBL9973686 0.67 HPGDS (0.54) HPGDSHSD17B1HSD17B2CYP2A6CYP19A1

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-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 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-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC25A11, ELAVL1, SLC26A3 HPGDS 4088/4885HSD17B1 3889/4885HSD17B2 3555/4885

“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.