SCHEMBL4128802

SCHEMBL4128802

COC(=O)c1cncc(C2CCCCCC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP11B1 P15538 2/20 0.36
OPRK1 P41145 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ACKR3 P25106 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL31258396 0.81 ATM (0.53) ATMALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL4135366 0.80 ATM (0.43) ATMALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL15874857 0.78 TP53 (0.50) ATMALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL15874855 0.78 TP53 (0.50) ATMALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL17067734 0.76 ATM (0.54) ATMALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL17067735 0.76 ATM (0.57) ATMALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4115629 0.76 ATM (0.37) ATMALDH1A1LMNAPOLBCYP11B2
SCHEMBL28280560 0.72 ATM (0.53) ATMALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9330239 0.72 TLR4 (0.37) ALDH1A1SMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL31704913 0.70 ATM (0.50) ATMALDH1A1HSD17B10CYP11B2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP ATM 544/4885ALDH1A1 1436/4885SMN1; SMN2 525/4885

“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.