SCHEMBL13170751

SCHEMBL13170751

N#Cc1cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
ADRA2C P18825 1/20 0.37
MAOB P27338 1/20 0.36
METAP2 P50579 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 5/20 0.35
CLK4 Q9HAZ1 5/20 0.35
CYP2C19 P33261 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP3A4 P08684 3/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
PDK2 Q15119 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21671486 0.97 ADORA2A (0.36) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL13170676 0.97 ADORA2A (0.36) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL13170637 0.97 ADORA2A (0.37) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL21671238 0.95 MCL1 (0.42) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL13170674 0.94 GABRA1 (0.36) ADORA2AADRA2CMAOBMEN1KMT2A
SCHEMBL13192112 0.93 ADRA2C (0.37) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL13170672 0.92 ADRA2C (0.44) ADORA2AADRA2CMAOBMEN1KMT2A
SCHEMBL13170640 0.91 ADRA2C (0.46) ADORA2AADRA2CMAOBMEN1KMT2A
SCHEMBL21643660 0.91 PDK2 (0.36) ADORA2AADRA2CMAOBMETAP2MEN1
SCHEMBL30170086 0.91 PDK2 (0.36) ADORA2AADRA2CMAOBMETAP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20100039027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2010-02-18 US disclosed
US-20100039027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2010-02-18 US disclosed
EP-2113954-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-11-04 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 (2 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 ADORA2A 3175/4885ADRA2C 3360/4885MAOB 1913/4885
US-20100039027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE RUVBL2, KCNB2, KCNB1 ADORA2A 1458/4885ADRA2C 1987/4885MAOB 104/4885

“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.