SCHEMBL17772249

SCHEMBL17772249

N#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4C#N)ccc32)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HIF1A Q16665 1/20 0.51
IMPDH2 P12268 1/20 0.36
ALDH1A1 P00352 5/20 0.35
AR P10275 2/20 0.35
PGR P06401 1/20 0.35
MAPT P10636 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL17930714 0.94 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AIMPDH2ALDH1A1AR
SCHEMBL17930705 0.94 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AIMPDH2ALDH1A1AR
SCHEMBL17930715 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AALDH1A1KDM4EHPGD
SCHEMBL17930710 0.91 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AALDH1A1PGRPDE9A
SCHEMBL17930717 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AALDH1A1KDM4EHPGD
SCHEMBL17930707 0.91 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AALDH1A1PGRPDE9A
SCHEMBL19253028 0.90 SMN1; SMN2 (0.56) SMN1; SMN2HIF1AIMPDH2ALDH1A1AR
SCHEMBL18098305 0.89 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AALDH1A1
SCHEMBL18098303 0.89 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AALDH1A1MAPTKDM4E
SCHEMBL17772246 0.89 AR (0.39) SMN1; SMN2HIF1AIMPDH2ALDH1A1AR

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-10461261-B2 Compound, light emitting material, and organic light emitting device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2019-10-29 US disclosed
US-20160164000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-09 US disclosed
EP-3023414-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2016-05-25 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-20160164000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE DRD1, DRD2, AAAS SMN1; SMN2 4569/4885HIF1A 2826/4885IMPDH2 1818/4885
US-10461261-B2 Compound, light emitting material, and organic light emitting device DRD1, DRD2, AAAS SMN1; SMN2 4569/4885HIF1A 2826/4885IMPDH2 1818/4885

“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.