SCHEMBL5779077

SCHEMBL5779077

CCc1cc(Nc2nc(Cl)c3[nH]cnc3n2)ccc1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 5/20 0.60
CDK2 P24941 4/20 0.48
NEK2 P51955 1/20 0.48
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRAF P15056 1/20 0.42
SYK P43405 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
FLT3 P36888 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL5779070 0.82 POLA1 (0.40) POLA1NPC1TP53TSHRHTT
SCHEMBL18231630 0.77 POLA1 (0.64) POLA1
SCHEMBL7666283 0.74 POLA1 (0.60) POLA1CDK2NEK2SYK
SCHEMBL8539783 0.74 CDK2 (0.64) POLA1CDK2NEK2PDPK1JAK2
SCHEMBL5197101 0.66 GDA (0.54) POLA1NEK2BRAFDPP4
SCHEMBL7293081 0.66 DPP4 (0.56) POLA1CDK2PDPK1DPP4
SCHEMBL27824249 0.66 DPP4 (0.61) POLA1CDK2BRAFPDPK1DPP4
SCHEMBL9278629 0.66 POLA1 (0.59) POLA1CDK2HTTDPP4
SCHEMBL4307867 0.66 DPP4 (0.49) POLA1NEK2HSD17B10DPP4
SCHEMBL6551675 0.66 DPP4 (0.56) POLA1NEK2PDPK1DPP4

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
EP-1472254-A4 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC (US) 2006-02-15 EP disclosed
US-6926763-B2 Purine and isosteric antibacterial compounds GLSYNTHESIS, INC. (US) 2005-08-09 US disclosed
EP-1472254-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS Glsynthesis Inc. (US) 2004-11-03 EP disclosed
US-20040014773-A1 Purine and isosteric antibacterial compounds ACURX PHARMACEUTICALS, LLC 2004-01-22 US disclosed
WO-2003066586-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC. (US) 2003-08-14 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-20040014773-A1 Purine and isosteric antibacterial compounds MTAP, AMPD3, MPG POLA1 75/4885CDK2 908/4885NEK2 1720/4885

“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.