SCHEMBL12212792

SCHEMBL12212792

CC1Oc2ccc(Nc3nc(NC(C)(C)C)ncc3F)nc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 14/20 0.45
▸ AURKA O14965 6/20 0.45
▸ MAPK8 P45983 4/20 0.45
▸ PLK4 O00444 3/20 0.45
▸ FLT3 P36888 3/20 0.45
▸ MAPK9 P45984 3/20 0.45
▸ PTK2 Q05397 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ KDR P35968 3/20 0.45
▸ JAK2 O60674 3/20 0.45
▸ LCK P06239 3/20 0.45
▸ LYN P07948 3/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ TYRO3 Q06418 2/20 0.45
▸ STK16 O75716 2/20 0.45
▸ RET P07949 2/20 0.45
▸ MST1R Q04912 2/20 0.45
▸ TNK1 Q13470 2/20 0.45
▸ IKBKE Q14164 2/20 0.45
▸ MAP3K11 Q16584 2/20 0.45

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
SCHEMBL17277998 0.89 SYK (0.47) SYKAURKAMAPK8PLK4FLT3
SCHEMBL12237028 0.86 SYK (0.45) SYKAURKAMAPK8PLK4FLT3
SCHEMBL12212789 0.82 SYK (0.59) SYKAURKAMAPK8PLK4FLT3
SCHEMBL12212798 0.82 SYK (0.49) SYKAURKAJAK2LCKLYN
SCHEMBL12212784 0.81 SYK (0.66) SYKAURKAMAPK8PLK4FLT3
SCHEMBL12212787 0.78 SYK (0.51) SYKAURKAMAPK8PLK4FLT3
SCHEMBL12212782 0.73 SYK (0.54) SYKAURKAMAPK8PLK4FLT3
SCHEMBL2103803 0.71 SYK (0.55) SYKAURKAJAK2LCKLYN
SCHEMBL15397375 0.71 SYK (0.63) SYKAURKAMAPK8PLK4FLT3
SCHEMBL17278002 0.70 MAOB (0.50) SYKAURKAJAK2LCKLYN

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 1871/4885AURKA 629/4885MAPK8 1896/4885

“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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