SCHEMBL20203434

SCHEMBL20203434

CC(C)c1ccc(N2CCCNCC2=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
AKR1C3 P42330 1/20 0.35
HTR6 P50406 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
MAP4K1 Q92918 1/20 0.32
ESR1 P03372 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL15341607 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL21414350 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20038005 0.82 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL21509722 0.82 AKR1C3 (0.49) AKR1C3HRH3
SCHEMBL14525387 0.81 AKR1C3 (0.48) AKR1C3HRH3
SCHEMBL18291536 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20203473 0.80 HTR6 (0.40) SLC6A2CHRNB2CHRNA4CDK4CDK6
SCHEMBL20037516 0.80 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL21414329 0.80 CDK4 (0.38) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL21414444 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 WO 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 SLC6A2 3237/4885SLC6A4 2197/4885SLC6A3 1901/4885

“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.