SCHEMBL12212804

SCHEMBL12212804

CC(C)(C)Nc1ncc(F)c(Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C2(CCC2)O3)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.60
▸ MAPK8 P45983 3/20 0.60
▸ PLK4 O00444 2/20 0.60
▸ AURKA O14965 2/20 0.60
▸ STK16 O75716 2/20 0.60
▸ RET P07949 2/20 0.60
▸ FLT3 P36888 2/20 0.60
▸ MAPK9 P45984 2/20 0.60
▸ MST1R Q04912 2/20 0.60
▸ PTK2 Q05397 2/20 0.60
▸ TNK1 Q13470 2/20 0.60
▸ IKBKE Q14164 2/20 0.60
▸ MAP3K11 Q16584 2/20 0.60
▸ ADCK1 Q86TW2 2/20 0.60
▸ PIP4K2C Q8TBX8 2/20 0.60
▸ NEK9 Q8TD19 2/20 0.60
▸ AURKB Q96GD4 2/20 0.60
▸ IRAK3 Q9Y616 2/20 0.60
▸ LATS1 O95835 1/20 0.60
▸ BRDT Q58F21 1/20 0.60

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
SCHEMBL12212783 0.89 SYK (0.74) SYKMAPK8PLK4AURKASTK16
SCHEMBL12212800 0.87 SYK (0.49) SYKMAPK8PLK4AURKASTK16
SCHEMBL12212788 0.84 SYK (0.55) SYKMAPK8PLK4AURKASTK16
SCHEMBL12237030 0.81 SYK (0.46) SYKMAPK8PLK4AURKASTK16
SCHEMBL12212782 0.81 SYK (0.54) SYKMAPK8PLK4AURKASTK16
SCHEMBL12237027 0.80 SYK (0.74) SYKMAPK8PLK4AURKASTK16
SCHEMBL12621078 0.77 SYK (0.72) SYKMAPK8PLK4AURKASTK16
SCHEMBL12212791 0.77 SYK (0.59) SYKMAPK8PLK4AURKASTK16
SCHEMBL12621084 0.76 SYK (0.69) SYKMAPK8PLK4AURKASTK16
SCHEMBL12212775 0.76 SYK (0.37) SYKMAPK8PLK4AURKASTK16

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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
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 1871/4885MAPK8 1896/4885PLK4 965/4885

“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.

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