SCHEMBL4657112

SCHEMBL4657112

CCc1nn2c(-c3cccc(NC(=O)c4ccc(Br)s4)c3)ccnc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BTK Q06187 1/20 0.41
MAPK13 O15264 2/20 0.40
PIM1 P11309 1/20 0.40
BRAF P15056 7/20 0.40
LIMK1 P53667 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CDKN1A P38936 1/20 0.39
FYN P06241 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EPHA2 P29317 1/20 0.38

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
SCHEMBL5622149 0.90 MEN1 (0.42) NPC1RAB9AMEN1KMT2ABTK
SCHEMBL4790854 0.82 HDAC3 (0.50) NPC1RAB9ABRAF
SCHEMBL4655859 0.81 HDAC1 (0.45) BTKMAPK13PIM1BRAFLIMK1
SCHEMBL4791344 0.81 BRAF (0.49) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4656902 0.81 F2R (0.48) NPC1RAB9ABTKMAPK13PIM1
SCHEMBL4657156 0.81 RAB9A (0.48) USP2NPC1RAB9AMEN1KMT2A
SCHEMBL4658310 0.80 HPGD (0.47) NPC1RAB9ABTKMAPK13PIM1
SCHEMBL5622507 0.80 BRAF (0.51) BRAF
SCHEMBL5621150 0.79 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2ABTK
SCHEMBL4656838 0.79 MAPT (0.47) RAB9AMEN1KMT2ABTKMAPK13

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 USP2 4414/4885NPC1 1135/4885RAB9A 3300/4885

“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.