SCHEMBL17071127

SCHEMBL17071127

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6ccccc6c5c5ccccc5c43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
PDE5A O76074 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 3/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17071277 0.97 MAPT (0.34) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071066 0.96 MAPT (0.36) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071195 0.94 MAPT (0.35) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071281 0.93 ABCG2 (0.36) MAPTSMN1; SMN2LMNAHPGDKDM4E
SCHEMBL17071284 0.93 GP6 (0.32) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071286 0.91 NPC1 (0.33) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071283 0.90 ABCG2 (0.39) LMNAATMTSHRHSD17B10ALDH1A1
SCHEMBL17071280 0.90 TP53 (0.40) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071122 0.90 ATM (0.35) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17071203 0.89 GP6 (0.33) MAPTSMN1; SMN2RAB9ANPC1LMNA

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
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 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-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME ODC1, DDC, ESD MAPT 2326/4885SMN1; SMN2 3571/4885RAB9A 3140/4885

“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.