SCHEMBL1688093

SCHEMBL1688093

CC1=CC=CC2=NC(c3ccccc3)CN12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALPL P05186 2/20 0.37
ALPI P09923 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD1 P21728 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
BLM P54132 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL6416236 0.82 NPC1 (0.41) NPC1MEN1KMT2AATMALPL
SCHEMBL6416223 0.82 NPC1 (0.41) NPC1MEN1KMT2AATMALPL
SCHEMBL6420696 0.78 NPC1 (0.39) NPC1MEN1KMT2AATMALPL
SCHEMBL6420700 0.78 NPC1 (0.39) NPC1MEN1KMT2AATMALPL
SCHEMBL6415736 0.76 NPC1 (0.37) NPC1MEN1KMT2AATMALPL
SCHEMBL6416063 0.76 NPC1 (0.37) NPC1MEN1KMT2AATMALPL
SCHEMBL15128302 0.74 KDM4E (0.32) ALDH1A1KDM4EGLAPOLBGAA
SCHEMBL6418003 0.73 ALDH1A1 (0.41) NPC1MEN1KMT2AATMALPL
SCHEMBL6418006 0.73 ALDH1A1 (0.41) NPC1MEN1KMT2AATMALPL
SCHEMBL13026440 0.71 ALDH1A1 (0.44) NPC1MEN1KMT2AATMALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372529-B2 Crosslinked pi-conjugated heteroacene compound for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-7768195-B2 Organic electroluminescent device with improved luminous efficiency IDEMITSU KOSAN CO., LTD. (JP) 2010-08-03 US disclosed
US-7745016-B2 White organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090174313-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC-ELECTROLUMINESCENCE-MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2009-07-09 US disclosed
US-20090053488-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-02-26 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 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 (3 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-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RIF1, ARL1 NPC1 3752/4885MEN1 585/4885KMT2A 1870/4885
US-20120085995-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ILK, EPCAM, PPOX NPC1 3809/4885MEN1 1918/4885KMT2A 1000/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 NPC1 813/4885MEN1 395/4885KMT2A 1932/4885

“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.