SCHEMBL3027720

SCHEMBL3027720

c1cncc(-n2cnc3cncnc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
MKNK2 Q9HBH9 1/20 0.50
FGFR1 P11362 1/20 0.49
CYP2A6 P11509 4/20 0.45
CYP3A4 P08684 4/20 0.44
CYP2E1 P05181 2/20 0.44
CYP17A1 P05093 1/20 0.40
PRKCI P41743 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL680855 0.86 FGFR1 (0.56) PI4KAPI4K2BPI4K2API4KBMKNK2
Hydrochloric Acid SCHEMBL4456679 0.85 FGFR1 (0.54) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL3697841 0.84 MKNK2 (0.49) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL467133 0.77 MKNK2 (0.47) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL4542537 0.75 POLB (0.54) MKNK2FGFR1CYP3A4CYP17A1ALDH1A1
SCHEMBL20520353 0.75 MKNK2 (0.42) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL793846 0.74 MKNK2 (0.48) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL16863762 0.73 MKNK2 (0.47) MKNK2FGFR1CYP3A4ALDH1A1CYP1A2
SCHEMBL38661689 0.72 HTT (0.70) FGFR1CYP17A1HTT
SCHEMBL4106400 0.72 HTT (0.70) FGFR1CYP17A1HTT

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 PI4KA 350/4885PI4K2B 756/4885PI4K2A 815/4885

“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.