SCHEMBL13325840

SCHEMBL13325840

c1ccc(-c2cn3c4ccccc4c4ccccc4c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADORA1 P30542 3/20 0.45
CLK4 Q9HAZ1 2/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
STK3 Q13188 1/20 0.43

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
SCHEMBL3356083 0.90 ADORA2A (0.46) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL13275848 0.82 ADORA2A (0.39) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL21128570 0.82 ADORA2A (0.46) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL22567096 0.82 ADORA2A (0.46) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL24566947 0.82 ADORA2A (0.46) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL22781183 0.81 ALDH1A1 (0.51) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL24088242 0.81 ALDH1A1 (0.51) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL11886010 0.80 ALDH1A3 (0.38) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL11886025 0.79 ALDH1A3 (0.37) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL11886018 0.78 ADORA2A (0.35) ADORA2AKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220069241-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-03-03 US disclosed
US-20210380617-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-12-09 US disclosed
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 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 (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-20220069241-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CHRM1, LBR, CNKSR1 ADORA2A 992/4885KDM4E 1449/4885ALDH1A1 352/4885
US-20210380617-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, CRKL, ROS1 ADORA2A 3097/4885KDM4E 1478/4885ALDH1A1 1778/4885

“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.