SCHEMBL21414326

SCHEMBL21414326

CCc1ccc(N2CCNCC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 5/20 0.57
▸ HTR2C P28335 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTR3E A5X5Y0 3/20 0.42
▸ HTR3B O95264 3/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR3A P46098 3/20 0.42
▸ HTR3D Q70Z44 3/20 0.42
▸ HTR3C Q8WXA8 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ADRB1 P08588 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

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
SCHEMBL21414340 0.87 BPTF (0.54) BPTFHTR2CALDH1A1HTR3EHTR3B
SCHEMBL1581409 0.83 BPTF (0.50) BPTFHTR2CALDH1A1HTR3EHTR3B
SCHEMBL23733444 0.81 KDM4E (0.47) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17226866 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HTTMEN1
SCHEMBL458210 0.78 PDE10A (0.39) HTTMEN1KMT2A
SCHEMBL8326134 0.77 BPTF (0.62) BPTFHTR2CALDH1A1HTR3EHTR3B
SCHEMBL22007467 0.76 ACHE (0.36) HTTMEN1KMT2AHRH3
SCHEMBL4726491 0.75 HDAC1 (0.42) BPTFHTT
SCHEMBL5217823 0.75 ALDH1A1 (0.58) HTR2CALDH1A1HTR3EHTR3BHTR1A
SCHEMBL20255732 0.74 CDK4 (0.40) HRH3

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 3 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

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 816/4885HTR2C 2718/4885ALDH1A1 964/4885

“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.

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