SCHEMBL20203428

SCHEMBL20203428

CC(C)c1ccc(N2CCNCC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 5/20 0.57
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
HTR2C P28335 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL21414401 0.84 BPTF (0.51) BPTFHTR3EHTR3BHTR3AHTR3D
SCHEMBL13729416 0.84 CYP1A2 (0.52) BPTFALDH1A1CYP1A2MAPK1HTT
SCHEMBL13730657 0.82 CYP1A2 (0.55) ALDH1A1CYP1A2MAPK1HTTPANK3
SCHEMBL13466378 0.81 DRD2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20045994 0.79 HRH3 (0.50) ALDH1A1KDM4ECYP1A2PANK3HRH3
SCHEMBL11960318 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHSD17B10TDP1
SCHEMBL22006820 0.78 NPC1 (0.50) USP2MAPK1HTTPANK3HRH3
SCHEMBL20046660 0.77 LMNA (0.37) CYP1A2HTTPANK3HRH4HRH3
SCHEMBL25709612 0.77 HRH3 (0.48) ALDH1A1KDM4ECYP1A2PANK3HRH3
SCHEMBL8326134 0.77 BPTF (0.62) BPTFHTR3EHTR3BHTR3AHTR3D

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 BPTF 816/4885HTR3E 2468/4885HTR3B 2561/4885

“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.