SCHEMBL12190834

SCHEMBL12190834

Nc1ncnn2cc(C3CCCCCCCCCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.43
MAP4K4 O95819 1/20 0.39
PIK3CD O00329 4/20 0.37
KDR P35968 1/20 0.34
ADK P55263 1/20 0.34
BACE1 P56817 1/20 0.34
PI4KA P42356 3/20 0.33
PI4K2B Q8TCG2 3/20 0.33
PI4K2A Q9BTU6 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
ADORA2A P29274 3/20 0.33
DGAT1 O75907 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TDO2 P48775 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA1 P30542 2/20 0.31

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
SCHEMBL15849817 1.00 KIT (0.43) KITMAP4K4PIK3CDKDRADK
SCHEMBL20997359 0.83 KDR (0.35) PIK3CDKDREGLN1
SCHEMBL24269588 0.82 KDR (0.34) KDR
SCHEMBL24269784 0.82 KDR (0.34) KDR
SCHEMBL18409208 0.74 BTK (0.31) KDR
SCHEMBL3805725 0.74 TLR9 (0.46) MAP4K4
SCHEMBL23810485 0.73 BTK (0.32)
SCHEMBL13075093 0.68 MAP4K4 (0.47) KITMAP4K4
SCHEMBL275263 0.68 MAP4K4 (0.47) KITMAP4K4KDRPI4KAPI4K2B
SCHEMBL27315074 0.66 MAP4K4 (0.41) MAP4K4PIK3CDKDR

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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 KIT 2934/4885MAP4K4 1324/4885PIK3CD 426/4885

“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.