SCHEMBL9104901

SCHEMBL9104901

CC(=O)Nc1cc(-c2nc(C(=O)NCc3cccnc3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
GFER P55789 1/20 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
SCHEMBL9109647 0.93 MAPT (0.43) KMT2AALDH1A1HTTKDM4ENPC1
SCHEMBL9104246 0.87 HSP90AB1 (0.46) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9890578 0.87 HPGD (0.47) KMT2AALDH1A1HTTKDM4ENPC1
SCHEMBL9110460 0.85 KMT2A (0.47) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL9105067 0.85 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL9890577 0.85 MAPT (0.46) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL9105422 0.84 SMN1; SMN2 (0.40) MEN1KMT2AKDM4ERAB9ALMNA
SCHEMBL9108437 0.84 PIK3C3 (0.42) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9106485 0.84 PIK3C3 (0.38) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9888733 0.84 PIK3C3 (0.38) MEN1KMT2AALDH1A1HTTKDM4E

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 4 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-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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 GAA 243/4885MEN1 3292/4885KMT2A 2944/4885

“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.