SCHEMBL20203465

SCHEMBL20203465

CC(C)c1ccc(CN2CCC(CO)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.50
▸ ACHE P22303 1/20 0.45
▸ LTA4H P09960 5/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL21414381 0.88 HRH3 (0.47) HRH3ACHELTA4HKMT2APTK2
SCHEMBL20203580 0.86 ALDH1A1 (0.50) HRH3ACHELTA4HPRMT5WDR77
SCHEMBL21267598 0.82 MGAT2 (0.46) HRH3ACHEPRMT5WDR77KMT2A
SCHEMBL20038328 0.82 HRH3 (0.48) HRH3ACHELTA4HKMT2ACHRM1
SCHEMBL20037686 0.82 S1PR5 (0.51) HRH3LTA4HKMT2APTK2MEN1
SCHEMBL20037688 0.81 PARP1 (0.42) HRH3PRMT5WDR77KMT2AHTR2A
SCHEMBL12028959 0.81 HRH3 (0.47) HRH3PRMT5WDR77KMT2AMEN1
SCHEMBL4547913 0.81 HRH3 (0.50) HRH3PRMT5WDR77
SCHEMBL20037592 0.81 ALDH1A1 (0.50) HRH3PRMT5WDR77KMT2AMEN1
SCHEMBL21267595 0.81 KDM4E (0.53) HRH3LTA4HKMT2AKCNH2

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 HRH3 2223/4885ACHE 4605/4885LTA4H 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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