SCHEMBL12212876

SCHEMBL12212876

C[C@@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)n3)cn2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.57
JAK1 P23458 3/20 0.57
JAK3 P52333 3/20 0.57
FLT3 P36888 3/20 0.57
AURKA O14965 3/20 0.57
AURKB Q96GD4 3/20 0.57
ADORA3 P0DMS8 2/20 0.57
TYRO3 Q06418 2/20 0.57
JAK2 O60674 2/20 0.57
TYK2 P29597 2/20 0.57
PLK4 O00444 2/20 0.57
STK16 O75716 2/20 0.57
RET P07949 2/20 0.57
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
MST1R Q04912 2/20 0.57
PTK2 Q05397 2/20 0.57
TNK1 Q13470 2/20 0.57
IKBKE Q14164 2/20 0.57
MAP3K11 Q16584 2/20 0.57

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
SCHEMBL2524918 1.00 SYK (0.57) SYKJAK1JAK3FLT3AURKA
SCHEMBL12213061 0.91 SYK (0.58) SYKJAK1JAK3FLT3AURKA
SCHEMBL2521109 0.91 SYK (0.58) SYKJAK1JAK3FLT3AURKA
SCHEMBL2521531 0.91 SYK (0.60) SYKJAK1JAK3FLT3AURKA
SCHEMBL12213084 0.91 SYK (0.60) SYKJAK1JAK3FLT3AURKA
SCHEMBL2519007 0.91 SYK (0.55) SYKJAK1JAK3FLT3AURKA
SCHEMBL2519001 0.90 SYK (0.61) SYKJAK1JAK3FLT3AURKA
SCHEMBL12213131 0.89 SYK (0.59) SYKJAK1JAK3FLT3AURKA
Hydrochloric Acid SCHEMBL2523805 0.89 SYK (0.60) SYKJAK1JAK3FLT3AURKA
SCHEMBL12213091 0.88 SYK (0.53) SYKJAK1JAK3FLT3AURKA

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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS SYK 1871/4885JAK1 2892/4885JAK3 2636/4885

“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.