SCHEMBL9104044

SCHEMBL9104044

CC(C)CC(=O)Nc1cc(-c2nc(-c3nnc[nH]3)c(-c3ccccc3Cl)o2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK14 Q16539 3/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL9890636 0.91 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL626224 0.91 JAK2 (0.42) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL16167583 0.89 TP53 (0.41) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL9104647 0.89 CDC7 (0.42) HPGDALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL9110056 0.89 MAPK14 (0.41) KDM4ESMN1; SMN2TP53MAPK14NPC1
SCHEMBL9108071 0.88 MAPK14 (0.46) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL9109816 0.87 MAPK8 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK14NPC1
SCHEMBL9108971 0.85 GSK3B (0.36) KDM4ESMN1; SMN2MAPK14NPC1RAB9A
SCHEMBL9105551 0.85 MAPK14 (0.41) MEN1KMT2AMAPK14RAB9AGSK3B
SCHEMBL9890572 0.85 GSK3B (0.49) MAPK14GSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 MEN1 3292/4885KMT2A 2944/4885HPGD 3886/4885

“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.