SCHEMBL4885013

SCHEMBL4885013

COc1ccc(-c2cnn3ccc(NC(c4cccnc4)N(C(=O)c4ccc(-c5cnn6ccc(NCc7cccnc7)nc56)cc4)c4ccc(OC)cc4)nc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.59
FYN P06241 6/20 0.54
PIM1 P11309 1/20 0.51
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 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
SCHEMBL4595031 0.82 FYN (0.77) RETFYNPIM1
SCHEMBL4338153 0.80 RET (0.69) RETFYNPIM1
SCHEMBL4594447 0.79 RET (0.79) RETFYNPIM1CYP1A2CYP3A4
SCHEMBL4595252 0.73 FYN (0.73) RETFYNPIM1
SCHEMBL4342469 0.73 FYN (0.76) RETFYNPIM1CYP1A2CYP3A4
SCHEMBL4594876 0.73 PIM1 (0.75) RETFYNPIM1
SCHEMBL4338947 0.72 RET (0.71) RETFYNPIM1
SCHEMBL4345361 0.72 RET (0.74) RETFYNPIM1
SCHEMBL4331369 0.72 RET (0.76) RETFYNPIM1
SCHEMBL4331120 0.72 PIM1 (0.74) RETFYNPIM1

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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed

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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK RET 911/4885FYN 151/4885PIM1 400/4885

“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.