SCHEMBL17598629

SCHEMBL17598629

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-c3ccc(-c4cccnc4)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.58
CYP11B2 P19099 6/20 0.58
CYP19A1 P11511 4/20 0.58
CYP17A1 P05093 2/20 0.58
CYP2A6 P11509 2/20 0.50
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
STAT1 P42224 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL17829457 0.98 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL25871404 0.89 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL25871461 0.87 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL19039937 0.87 CYP2A6 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17944660 0.87 CYP2A6 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL2254917 0.87 CYP2A6 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL23633608 0.87 MEN1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17829270 0.85 CYP11B2 (0.74) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL17598661 0.85 NOTUM (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10057497 0.85 CYP19A1 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
EP-2995616-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-03-16 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 (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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CYP11B1 939/4885CYP11B2 661/4885CYP19A1 375/4885

“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.