SCHEMBL4851533

SCHEMBL4851533

Nc1ncnc2[c]cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.48
PI4K2B Q8TCG2 4/20 0.48
PI4K2A Q9BTU6 4/20 0.48
PI4KB Q9UBF8 4/20 0.48
LIMK1 P53667 6/20 0.40
KDM4E B2RXH2 2/20 0.38
MAP4K4 O95819 8/20 0.37
CDK5 Q00535 2/20 0.37
RET P07949 2/20 0.37
LRRK2 Q5S007 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
IGF1R P08069 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
SCHEMBL21571314 0.76 CYP2A6 (0.35)
SCHEMBL5312566 0.72 DCPS (0.48) KDM4EMAP4K4ALDH1A1CYP1A2HSD17B10
SCHEMBL9341222 0.72 POLB (0.39) LRRK2CHEK1AURKAPRKACARPS6KA3
SCHEMBL5551347 0.72 MAP4K4 (0.40) KDM4EMAP4K4CSF1RCLK4MEN1
SCHEMBL5658693 0.69 NOS3 (0.50) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL3956713 0.68 ALDH1A1 (0.38) KDM4EAURKAAURKBDYRK1BMEN1
SCHEMBL17442625 0.68 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLIMK1
SCHEMBL22116851 0.67 KDM4E (0.34) KDM4EPLAUALDH1A1CYP1A2
4-Aminoquinazoline SCHEMBL142513 0.66 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLIMK1
4-Aminoquinazoline SCHEMBL29363315 0.66 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PI4KA 2127/4885PI4K2B 2986/4885PI4K2A 2721/4885

“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.