SCHEMBL20249307

SCHEMBL20249307

CC(C)(C)c1ccc(O[C@@H]2CNCC[C@H]2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
KDM1A O60341 3/20 0.33
KCNH2 Q12809 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CSF1R P07333 1/20 0.33
FLT3 P36888 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
PRKCZ Q05513 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL20249485 1.00 CHRNB2 (0.35) CHRNB2CHRNA4KDM1AKCNH2TDP1
SCHEMBL20249232 0.90 CLK2 (0.37) CHRNB2CHRNA4KCNH2CSF1RFLT3
SCHEMBL20249381 0.90 CLK2 (0.37) CHRNB2CHRNA4KCNH2CSF1RFLT3
SCHEMBL20249229 0.90 CLK2 (0.37) CHRNB2CHRNA4KCNH2CSF1RFLT3
SCHEMBL20249367 0.88 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7
SCHEMBL20038365 0.83 CHRNB2 (0.40) CHRNB2CHRNA4KDM1ATDP1
SCHEMBL18291676 0.83 CHRNB2 (0.40) CHRNB2CHRNA4KDM1ATDP1
SCHEMBL20249288 0.81 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ
SCHEMBL20249289 0.81 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ
SCHEMBL20249208 0.81 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ

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 2 patents. 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
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 CHRNB2 4863/4885CHRNA4 4628/4885KDM1A 1231/4885

“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.