SCHEMBL12235341

SCHEMBL12235341

CCc1ccc2c(n1)N(COP(=O)(O)O)C(=O)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ REN P00797 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ 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

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
SCHEMBL17277951 0.86 HTT (0.38) HTTUSP2KDM4ERENTSHR
SCHEMBL17076828 0.83 TSHR (0.33) HTTUSP2KDM4ERENTSHR
SCHEMBL12212770 0.83 ALDH1A1 (0.38) HTTUSP2KDM4ETSHRALDH1A1
SCHEMBL12235336 0.78 REN (0.35) HTTRENTSHRALDH1A1NPSR1
SCHEMBL12235339 0.78 SYK (0.48) USP2RENALDH1A1KMT2APLK4
SCHEMBL12235338 0.77 PLK4 (0.37) RENPLK4AURKASTK16LATS1
SCHEMBL24224443 0.77 KCNH2 (0.38) HTTRENTSHRBRD4
SCHEMBL12236664 0.75 HTT (0.45) HTTUSP2KDM4ETSHRALDH1A1
SCHEMBL19200134 0.71 PIK3CD (0.32) HTTUSP2RENTSHR
SCHEMBL12212788 0.71 SYK (0.55) PLK1PLK4AURKASTK16LATS1

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 HTT 4149/4885USP2 4537/4885KDM4E 1643/4885

“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.

Send feedback