SCHEMBL6419640

SCHEMBL6419640

Nc1cc2c(N)ncnc2cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.50
PI4K2B Q8TCG2 2/20 0.50
PI4K2A Q9BTU6 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
MAP4K4 O95819 14/20 0.49
EGFR P00533 2/20 0.45
GRM1 Q13255 1/20 0.43
IP6K1 Q92551 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
SCHEMBL29882957 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL29656231 0.83 EGFR (0.53) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6942722 0.83 EGFR (0.53) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL7971026 0.79 GRM1 (0.48) MAP4K4EGFRGRM1
SCHEMBL1584799 0.79 MAP4K4 (0.49) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL17732856 0.79 MAP4K4 (0.54) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL17804471 0.79 EGFR (0.50) EGFRGRM1
SCHEMBL31026197 0.79 MAP4K4 (0.49) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL17610601 0.75 EGFR (0.48) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL21318570 0.72 MAP4K4 (0.66) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849734-B2 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-01 US disclosed
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 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-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines DPYD, DCK, DTYMK PI4KA 47/4885PI4K2B 124/4885PI4K2A 152/4885

“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.