SCHEMBL29528682

SCHEMBL29528682

CN1c2ccccc2N(c2c(-c3ccccc3)c(-c3nc4ccccc4s3)c(-c3nc4ccccc4s3)c(N3c4ccccc4N(C)c4ccccc43)c2N2c3ccccc3N(C)c3ccccc32)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.43
RAB9A P51151 10/20 0.42
NPC1 O15118 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
ALDH1A1 P00352 4/20 0.42
P2RY6 Q15077 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 6/20 0.41
PKM P14618 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL29528870 0.97 ILK (0.43) ILKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29528750 0.91 ILK (0.44) ILKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29529518 0.90 ILK (0.46) ILKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29528648 0.89 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29528661 0.89 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29528670 0.87 KDM4E (0.49) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL29528409 0.86 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29528699 0.86 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29528740 0.84 KDM4E (0.49) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL29529011 0.81 ILK (0.46) ILKRAB9ANPC1MAPTSMN1; SMN2

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-11283027-B1 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-03-22 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-11283027-B1 Composition of matter for use in organic light-emitting diodes ALDH1A2, CYBA, CRY2 ILK 2774/4885RAB9A 3307/4885NPC1 863/4885

“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.