SCHEMBL18506674

SCHEMBL18506674

Cn1c2ccc(-c3ccccc3-c3ccccn3)cc2c2cc(-c3ccccc3-c3ccccn3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
NPY5R Q15761 1/20 0.40
TGFBR1 P36897 5/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
GRM5 P41594 2/20 0.39
MAPK14 Q16539 1/20 0.39
KMO O15229 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL18506763 0.96 NPY5R (0.46) BRD4NPY5RTGFBR1BRD2BRD3
SCHEMBL20033364 0.91 MAPT (0.40) BRD4NPY5RTGFBR1MAPT
SCHEMBL20033363 0.89 BRD4 (0.41) BRD4NPY5RTGFBR1BRD2BRD3
SCHEMBL1610423 0.89 KMO (0.39) BRD4NPY5RTGFBR1BRD2BRD3
SCHEMBL12249813 0.87 NPY5R (0.43) BRD4NPY5RKDM4ELMNACYP1A2
SCHEMBL1929195 0.83 GPR3 (0.50) BRD4NPY5RKDM4EPOLBNPC1
SCHEMBL12396566 0.82 NPY5R (0.37) BRD4NPY5RBRD2BRD3BAZ2B
SCHEMBL16606282 0.81 GRM5 (0.44) NPY5RTGFBR1GRM5MAPK14KDM4E
SCHEMBL16482333 0.81 GRM5 (0.44) NPY5RTGFBR1GRM5MAPK14
SCHEMBL14114036 0.81 CCR1 (0.49) BRD4NPY5RKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-27 US disclosed
US-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-27 US disclosed
EP-3131131-A1 LIGHT-EMISSION ELEMENT, AND COMPOSITION USED THEREIN Sumitomo Chemical Company Limited (JP) 2017-02-15 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-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME CYBA, CRY1, AP2A1 BRD4 3313/4885NPY5R 4759/4885TGFBR1 791/4885

“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.