SCHEMBL17829671

SCHEMBL17829671

O=c1[nH]c(-c2cccc3ccccc23)nc2c(Cl)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.58
PARP1 P09874 7/20 0.57
TNKS O95271 5/20 0.54
TNKS2 Q9H2K2 5/20 0.54
PIM1 P11309 5/20 0.53
CSNK2A2 P19784 4/20 0.53
CSNK2B P67870 4/20 0.53
PIM3 Q86V86 4/20 0.53
PIM2 Q9P1W9 4/20 0.53
PTGES O14684 4/20 0.52
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49

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
SCHEMBL17829672 0.82 TNKS (0.68) GUSBPARP1TNKSTNKS2PARP2
SCHEMBL17830142 0.81 TNKS (0.70) GUSBPARP1TNKSTNKS2PARP2
SCHEMBL28135155 0.78 GUSB (0.69) GUSBPARP1TNKSTNKS2PARP2
SCHEMBL17829769 0.78 TNKS (0.60) GUSBPARP1TNKSTNKS2PIM1
SCHEMBL17829784 0.77 PARP1 (0.55) GUSBPARP1TNKSTNKS2PIM1
SCHEMBL4508581 0.76 PIM1 (0.50) GUSBPARP1TNKSTNKS2PIM1
SCHEMBL31208012 0.76 PARP1 (0.70) GUSBPARP1TNKSTNKS2PIM1
SCHEMBL3423935 0.76 PARP1 (0.70) GUSBPARP1TNKSTNKS2PIM1
SCHEMBL11086311 0.75 TNKS (0.74) PARP1TNKSTNKS2PARP2
SCHEMBL17829735 0.75 GUSB (0.47) GUSBPARP1TNKSTNKS2PIM1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 GUSB 2206/4885PARP1 2477/4885TNKS 1771/4885

“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.