SCHEMBL3131793

SCHEMBL3131793

c1ccc(N(c2ncc3nc[nH]c3n2)N2CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
SRC P12931 1/20 0.35
PKM P14618 1/20 0.35
PIK3CA P42336 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 1/20 0.34
ELANE P08246 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
METAP1 P53582 1/20 0.33
HSD17B10 Q99714 2/20 0.33
STAT3 P40763 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3128313 0.88 KDM1A (0.33) LMNATSHRKDM4EELANEMAPK1
SCHEMBL3130113 0.87 HTR6 (0.34) TSHRKDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL28865660 0.81 CDK2 (0.40) CHEK1SRCPKMPIK3CALMNA
SCHEMBL18335244 0.74 METAP1 (0.43) PKMPIK3CALMNATSHRKDM4E
SCHEMBL3120089 0.74 FLT3 (0.32) ALDH1A1KMT2A
SCHEMBL3131475 0.74 SPAST (0.33) CHEK1LMNATSHRKDM4EMAPT
SCHEMBL12614645 0.71 NPC1 (0.39) PKMLMNATSHRKDM4ENPC1
SCHEMBL27801283 0.70 HTT (0.39) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL27745785 0.70 KDM4E (0.34) PKMPIK3CALMNATSHRPIK3CD
SCHEMBL27828904 0.70 SYK (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 CHEK1 208/4885SRC 1007/4885PKM 920/4885

“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.