SCHEMBL14207160

SCHEMBL14207160

Nc1nc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 12/20 0.64
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
YES1 P07947 1/20 0.44
KDR P35968 1/20 0.44
SYK P43405 2/20 0.43
ALOX5 P09917 1/20 0.43
AURKA O14965 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
CD63 P08962 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
SCHEMBL2217622 0.93 MAPKAPK5 (0.64) MAPKAPK5CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL1476709 0.87 MAPKAPK5 (0.58) MAPKAPK5CYP1A1CYP1A2CYP1B1SYK
SCHEMBL3801156 0.85 MAPKAPK5 (0.58) MAPKAPK5CYP1A1CYP1A2CYP1B1SYK
SCHEMBL1477651 0.85 MAPKAPK5 (0.57) MAPKAPK5
SCHEMBL2218922 0.84 MAPKAPK5 (0.71) MAPKAPK5NPC1POLBMAPTRAB9A
SCHEMBL3800071 0.82 MAPKAPK5 (0.56) MAPKAPK5ABL1NTRK1YES1KDR
SCHEMBL1476354 0.81 MAPKAPK5 (0.70) MAPKAPK5NPC1POLBMAPTRAB9A
SCHEMBL1476125 0.79 MAPKAPK5 (0.75) MAPKAPK5SYK
SCHEMBL1475590 0.78 MAPKAPK5 (0.61) MAPKAPK5NPC1POLBMAPTRAB9A
SCHEMBL1475901 0.78 MAPKAPK5 (1.00) MAPKAPK5NPC1POLBMAPTRAB9A

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-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 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-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885CYP1A1 1274/4885CYP1A2 1184/4885

“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.