SCHEMBL4020263

SCHEMBL4020263

Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
MAPT P10636 2/20 0.56
ALDH1A1 P00352 6/20 0.55
THRB P10828 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCC1 P33527 1/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
AKR1C3 P42330 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL16104992 0.82 L3MBTL1 (0.74) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL4175098 0.79 RAB9A (0.63) RAB9AMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL17651447 0.79 RAB9A (0.63) RAB9AMAPTTHRBABCC1KMT2A
SCHEMBL2386321 0.79 GAA (0.74) RAB9AMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL17979844 0.78 SMN1; SMN2 (0.70) RAB9AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL12694371 0.77 POLB (0.75) RAB9AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL7681116 0.77 MAPT (0.59) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL11332313 0.76 KMT2A (0.71) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL4320215 0.76 HTT (0.68) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL4320209 0.76 HTT (0.68) MAPTALDH1A1HTTSMN1; SMN2KMT2A

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 RAB9A 2850/4885MAPT 758/4885ALDH1A1 4322/4885

“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.