SCHEMBL4175098

SCHEMBL4175098

Cc1ccc(N)cc1NC(=O)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
ABCC1 P33527 1/20 0.58
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL17651447 0.83 RAB9A (0.63) RAB9AABCC1THRBMAPTPOLB
SCHEMBL2964946 0.80 RAD52 (0.63) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL17079635 0.80 RAB9A (0.69) RAB9AABCC1MAPTALDH1A1KDM4E
SCHEMBL29609509 0.80 RAB9A (0.69) RAB9AABCC1MAPTALDH1A1KDM4E
SCHEMBL4020263 0.79 RAB9A (0.57) RAB9AABCC1THRBMAPTALDH1A1
SCHEMBL11058349 0.77 RAB9A (1.00) RAB9AABCC1THRBMAPTALDH1A1
SCHEMBL2475796 0.76 GAA (0.73) RAB9AMAPTALDH1A1TSHRCYP2C9
SCHEMBL17346758 0.76 RAB9A (0.77) RAB9AABCC1MAPTALDH1A1KDM4E
SCHEMBL17979877 0.75 MEN1 (0.55) RAB9AMAPTALDH1A1KDM4ETSHR
SCHEMBL7682419 0.74 MAPK14 (0.59) HDAC3HDAC1HDAC2ALDH1A1POLB

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 5 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
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
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
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 2850/4885ABCC1 2684/4885THRB 1586/4885

“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.