SCHEMBL4657156

SCHEMBL4657156

CCc1nn2c(-c3cccc(NC(=O)c4cnccn4)c3)ccnc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
BRAF P15056 6/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAPK13 O15264 2/20 0.43
PIM1 P11309 1/20 0.43
LIMK1 P53667 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
HMOX1 P09601 1/20 0.43
HMOX2 P30519 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL4658310 0.89 HPGD (0.47) RAB9ANPC1SMN1; SMN2HPGDBRAF
SCHEMBL4791344 0.88 BRAF (0.49) RAB9ANPC1SMN1; SMN2BRAFPOLB
SCHEMBL4655859 0.83 HDAC1 (0.45) BRAFMAPK13PIM1LIMK1MARK2
SCHEMBL5622507 0.81 BRAF (0.51) BRAF
SCHEMBL5622149 0.81 MEN1 (0.42) RAB9ANPC1SMN1; SMN2BRAFALDH1A1
SCHEMBL4656902 0.81 F2R (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1BRAF
SCHEMBL5621150 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2HPGDBRAF
SCHEMBL4656838 0.81 MAPT (0.47) RAB9ABRAFMAPTPOLBMAPK13
SCHEMBL4657112 0.81 USP2 (0.48) RAB9ANPC1SMN1; SMN2BRAFMAPT
SCHEMBL4831586 0.80 EPHA2 (0.51) RAB9ANPC1SMN1; SMN2BRAFMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS RAB9A 3300/4885NPC1 1135/4885SMN1; SMN2 2489/4885

“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.