SCHEMBL5105972

SCHEMBL5105972

NCc1ncnc2c1ncn2-c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.52
▸ PI4K2B Q8TCG2 10/20 0.52
▸ PI4K2A Q9BTU6 10/20 0.52
▸ PI4KB Q9UBF8 10/20 0.52
▸ EGFR P00533 1/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A2 P11168 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ XDH P47989 2/20 0.35

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
SCHEMBL3538512 0.81 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5111652 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL25310770 0.76 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL19350813 0.75 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5118492 0.75 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5105975 0.75 YTHDC1 (0.54) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL28496042 0.75 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5113125 0.73 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL28950113 0.71 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL9706194 0.70 ADORA2A (0.35) PI4KAPI4K2BPI4K2API4KB

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — EP 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 PI4KA 4459/4885PI4K2B 3789/4885PI4K2A 4318/4885

“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.

Send feedback