SCHEMBL20249498

SCHEMBL20249498

CC(C)(C)c1ccc(CN2C[C@H]3C[C@@H]2CN3)cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
HSD11B1 P28845 1/20 0.43
TLR7 Q9NYK1 4/20 0.41
CHRNB2 P17787 8/20 0.40
CHRNA4 P43681 8/20 0.40
P2RX7 Q99572 1/20 0.38
BRAF P15056 1/20 0.37
CCR9 P51686 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL20255464 0.83 CHRNB2 (0.58) LTA4HFLT3TYRO3MERTKGAS6
SCHEMBL20070838 0.80 CHRNB2 (0.60) LTA4HFLT3TYRO3MERTKGAS6
SCHEMBL22031253 0.80 CHRNB2 (0.60) LTA4HFLT3TYRO3MERTKGAS6
SCHEMBL20069992 0.80 CHRNB2 (0.60) LTA4HFLT3TYRO3MERTKGAS6
SCHEMBL20069989 0.80 CHRNB2 (0.60) LTA4HFLT3TYRO3MERTKGAS6
Hydrochloric Acid SCHEMBL20136938 0.79 CHRNB2 (0.59) LTA4HFLT3TYRO3MERTKGAS6
Hydrochloric Acid SCHEMBL31458823 0.79 CHRNB2 (0.59) LTA4HFLT3TYRO3MERTKGAS6
SCHEMBL22425611 0.78 LTA4H (0.47) LTA4HTLR7CHRNB2CHRNA4P2RX7
SCHEMBL20249267 0.75 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14216743 0.75 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3

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 LTA4H 3374/4885FLT3 289/4885TYRO3 820/4885

“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.