SCHEMBL20249381

SCHEMBL20249381

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.37
CLK3 P49761 3/20 0.37
DYRK1A Q13627 3/20 0.37
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
CSF1R P07333 4/20 0.35
FLT3 P36888 4/20 0.35
KDR P35968 3/20 0.35
KIT P10721 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNH2 Q12809 1/20 0.35
SGK1 O00141 4/20 0.34
PIM1 P11309 4/20 0.33
PIM2 Q9P1W9 4/20 0.33

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
SCHEMBL20249229 1.00 CLK2 (0.37) CLK2CLK3DYRK1AP2RX3P2RX2
SCHEMBL20249232 1.00 CLK2 (0.37) CLK2CLK3DYRK1AP2RX3P2RX2
SCHEMBL20249485 0.90 CHRNB2 (0.35) CSF1RFLT3CHRNB2CHRNA4KCNH2
SCHEMBL20249307 0.90 CHRNB2 (0.35) CSF1RFLT3CHRNB2CHRNA4KCNH2
SCHEMBL20249367 0.88 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL20037727 0.83 CLK2 (0.41) CLK2CLK3DYRK1AP2RX3P2RX2
SCHEMBL20249288 0.81 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL20249208 0.81 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL20249289 0.81 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL19023265 0.81 CLK2 (0.40) CLK2CLK3DYRK1ACSF1RFLT3

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 CLK2 751/4885CLK3 1333/4885DYRK1A 286/4885

“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.