SCHEMBL5621150

SCHEMBL5621150

CCc1nn2c(-c3cccc(NC(=O)CC(C)(C)C)c3)ccnc2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BTK Q06187 1/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 11/20 0.42
PIM1 P11309 2/20 0.41
NTRK1 P04629 1/20 0.41
MAPK13 O15264 2/20 0.39
FYN P06241 1/20 0.39
MAPT P10636 1/20 0.39
LIMK1 P53667 1/20 0.39
MARK2 Q7KZI7 1/20 0.39

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
SCHEMBL4658067 0.88 BTK (0.41) BTKMEN1KMT2ABRAFPIM1
SCHEMBL5622507 0.84 BRAF (0.51) BRAF
SCHEMBL4761875 0.82 BRAF (0.43) BTKBRAFPIM1NTRK1MAPK13
SCHEMBL4831586 0.82 EPHA2 (0.51) RAB9ANPC1SMN1; SMN2BTKBRAF
SCHEMBL5621460 0.82 MAPK14 (0.46) BTKBRAFPIM1MAPK13
SCHEMBL5816389 0.81 CDKN1A (0.49) ALDH1A1KDM4ESMN1; SMN2BTKHPGD
SCHEMBL4791344 0.81 BRAF (0.49) RAB9ANPC1SMN1; SMN2BTKMEN1
SCHEMBL4655859 0.81 HDAC1 (0.45) BTKBRAFPIM1NTRK1MAPK13
SCHEMBL4657156 0.81 RAB9A (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2BTK
SCHEMBL4762381 0.81 BRAF (0.47) BTKBRAFPIM1NTRK1MAPK13

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-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 ALDH1A1 253/4885GAA 2845/4885RAB9A 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.