SCHEMBL20255243

SCHEMBL20255243

CN(C)C1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
CDK4 P11802 10/20 0.39
CDK6 Q00534 7/20 0.39
MAP4K4 O95819 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20038654 0.91 MAP4K4 (0.48) MAP4K4
SCHEMBL20037583 0.83 CDK4 (0.40) OGACDK4CDK6MAP4K4L3MBTL3
SCHEMBL1977570 0.81 LMNA (0.57) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13768873 0.81 MAP4K4 (0.44) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL12557337 0.81 CDK4 (0.39) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL20255732 0.78 CDK4 (0.40) CDK4CDK6MAP4K4PARP1
SCHEMBL20249263 0.78 CDK4 (0.39) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL3828733 0.78 CYP1A2 (0.46) OGACDK4CDK6LMNAHTT
SCHEMBL3826525 0.78 LMNA (0.43) OGACDK4CDK6LMNAHTT
SCHEMBL20038053 0.77 HRH4 (0.41) OGACDK4CDK6LMNAHTT

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 OGA 4627/4885CDK4 1/4885CDK6 2/4885

“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.