SCHEMBL29995779

SCHEMBL29995779

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c3-c3ccncc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
IMPDH2 P12268 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 2/20 0.36
GAA P10253 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
SCHEMBL21420947 1.00 PIK3CA (0.42) PIK3CAIMPDH2MKNK1MAPTMEN1
SCHEMBL29996878 0.91 KDM4E (0.41) PIK3CAMAPTMEN1HSP90AA1KMT2A
SCHEMBL29996774 0.90 ALDH1A1 (0.46) PIK3CAMAPTMEN1HSP90AA1KMT2A
SCHEMBL29996873 0.90 KDM4E (0.41) PIK3CAMAPTMEN1HSP90AA1KMT2A
SCHEMBL21407997 0.89 PIK3CA (0.43) PIK3CAIMPDH2MKNK1MAPTMEN1
SCHEMBL17328020 0.88 MKNK1 (0.43) PIK3CAIMPDH2MKNK1MAPTMEN1
SCHEMBL22126298 0.87 NR3C1 (0.37) PIK3CAMKNK1MAPTMEN1HSP90AA1
SCHEMBL26931253 0.87 NR3C1 (0.37) PIK3CAMKNK1MAPTMEN1HSP90AA1
SCHEMBL21046113 0.87 NR3C1 (0.36) PIK3CAMAPTMEN1KMT2AALDH1A1
SCHEMBL24797537 0.86 PIK3CA (0.44) PIK3CAIMPDH2MKNK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498914-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-11-15 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 (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-11498914-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 PIK3CA 2773/4885IMPDH2 2137/4885MKNK1 4129/4885

“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.