SCHEMBL9106554

SCHEMBL9106554

CCNC(=O)c1cc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
ABL1 P00519 3/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LIMK1 P53667 1/20 0.37
S1PR4 O95977 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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
SCHEMBL9107516 0.91 MAPT (0.43) HPGDKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9108275 0.90 PIK3C3 (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9890501 0.90 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9109287 0.90 ALDH1A1 (0.45) HPGDKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9106623 0.90 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9108010 0.89 KMT2A (0.42) HPGDKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9890033 0.89 PIK3C3 (0.44) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL16167595 0.89 KMT2A (0.40) HPGDKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9888609 0.89 RAB9A (0.44) HPGDKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9110058 0.89 HPGD (0.50) HPGDKMT2AKDM4EALDH1A1LMNA

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-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
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 HPGD 3886/4885KMT2A 2944/4885KDM4E 2506/4885

“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.