SCHEMBL23733476

SCHEMBL23733476

CCc1ccc2c(n1)CCN(C(=O)C1CCN(CCO)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
KCNH2 Q12809 4/20 0.42
GRM5 P41594 1/20 0.41
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL20203456 0.84 GRM5 (0.41) POLBMAPTHTTGABRG2GABRB3
SCHEMBL21414370 0.84 GABRG2 (0.44) POLBMAPTHTTGABRG2GABRB3
SCHEMBL21414438 0.83 GABRG2 (0.41) POLBMAPTHTTGABRG2GABRB3
SCHEMBL23733486 0.83 KDR (0.42) POLBMAPTGABRG2GABRB3GABRA5
SCHEMBL21414365 0.79 PDCD1 (0.47) MAPTTP53CDK1CDK4LMNA
SCHEMBL23733473 0.77 CDK4 (0.44) GABRG2GABRB3GABRA5KCNH2KEAP1
SCHEMBL23733456 0.76 KDM4E (0.43) MEN1ALDH1A1CDK1CDK4CCNB1
SCHEMBL23733464 0.75 GRM5 (0.52) POLBMAPTHTTGABRG2GABRB3
SCHEMBL23733477 0.74 CDK1 (0.45) GABRG2GABRB3GABRA5KCNH2KEAP1
SCHEMBL23733480 0.74 KDM4E (0.40) GABRG2GABRB3GABRA5KCNH2MEN1

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 1 patent. 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

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 POLB 851/4885MAPT 2593/4885HTT 3809/4885

“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.