SCHEMBL20249242

SCHEMBL20249242

CC(C)(C)c1ccc(OC2CC3(CNC3)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.36
FLT3 P36888 4/20 0.36
MGLL Q99685 2/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PDGFRB P09619 2/20 0.32
KIT P10721 2/20 0.32
PDGFRA P16234 2/20 0.32
LIPE Q05469 1/20 0.31

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
SCHEMBL25326413 0.86 CHRNB2 (0.41) MGLLP2RX3P2RX2LIPE
SCHEMBL20249283 0.82 SLC6A2 (0.44)
SCHEMBL15221721 0.79 LIPE (0.40) CSF1RFLT3PDGFRBPDGFRALIPE
SCHEMBL27246537 0.79 LIPE (0.40) MGLLP2RX3P2RX2LIPE
SCHEMBL20249213 0.78 HRH1 (0.47) CSF1RFLT3
SCHEMBL20085932 0.76 PARP10 (0.39) PDGFRBPDGFRALIPE
SCHEMBL20249208 0.76 CHRNB2 (0.54)
SCHEMBL22583402 0.76 CHEK1 (0.34) MGLLP2RX3P2RX2
SCHEMBL20249288 0.76 CHRNB2 (0.54)
SCHEMBL20249289 0.76 CHRNB2 (0.54)

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CSF1R 3622/4885FLT3 289/4885MGLL 4576/4885

“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.