SCHEMBL20203525

SCHEMBL20203525

CC(C)c1ccc(CN2CCC(C#N)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ LTA4H P09960 3/20 0.43
▸ PANK3 Q9H999 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL21414453 0.89 CHEK1 (0.41) ACHECHEK1LTA4HHRH3KMT2A
SCHEMBL20203580 0.82 ALDH1A1 (0.50) ACHELTA4HPRMT5WDR77HRH3
SCHEMBL21267598 0.81 MGAT2 (0.46) ACHEPRMT5WDR77HRH3KMT2A
SCHEMBL20203465 0.80 HRH3 (0.50) ACHELTA4HPRMT5WDR77HRH3
SCHEMBL20037688 0.80 PARP1 (0.42) PRMT5WDR77HRH3KMT2A
SCHEMBL12028959 0.80 HRH3 (0.47) PANK3PRMT5WDR77HRH3KMT2A
SCHEMBL4547913 0.80 HRH3 (0.50) PRMT5WDR77HRH3
SCHEMBL22650374 0.80 ACHE (0.45) ACHECHEK1LTA4HHRH3KMT2A
SCHEMBL25896863 0.79 HRH3 (0.53) HRH3KMT2AMEN1
SCHEMBL12041186 0.78 HRH3 (0.45) CHEK1LTA4HPANK3PRMT5WDR77

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 2 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
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 ACHE 4605/4885CHEK1 286/4885LTA4H 3394/4885

“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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