SCHEMBL12235336

SCHEMBL12235336

CCc1ccc2c(n1)N(COP(=O)(O)O)C(=O)C(C)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.35
▸ TSHR P16473 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ STK16 O75716 1/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ RET P07949 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ TNK1 Q13470 1/20 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
SCHEMBL12212767 0.83 TSHR (0.34) RENTSHRALDH1A1L3MBTL1HTT
SCHEMBL12235341 0.78 HTT (0.35) RENTSHRALDH1A1L3MBTL1HTT
SCHEMBL12235339 0.77 SYK (0.48) RENALDH1A1PLK4AURKASTK16
SCHEMBL12236663 0.76 TSHR (0.43) RENTSHRALDH1A1L3MBTL1HTT
SCHEMBL12235338 0.74 PLK4 (0.37) RENPLK4AURKASTK16LATS1
SCHEMBL12212782 0.71 SYK (0.54) PLK4AURKASTK16LATS1RET
SCHEMBL12212777 0.70 TSHR (0.41) TSHRALDH1A1L3MBTL1HTTNPSR1
SCHEMBL12237029 0.70 SYK (0.55) PLK4AURKASTK16LATS1RET
SCHEMBL17277951 0.64 HTT (0.38) RENTSHRALDH1A1HTT
SCHEMBL17076733 0.62 SYK (0.49) RENALDH1A1PLK4AURKASTK16

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 REN 2904/4885TSHR 4003/4885ALDH1A1 617/4885

“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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