SCHEMBL20038342

SCHEMBL20038342

O=C(O)CN1CCN(c2ccc(I)nc2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
S1PR1 P21453 1/20 0.33
FNTA P49354 3/20 0.33
PGGT1B P53609 3/20 0.33
KCNH2 Q12809 2/20 0.33
FNTB P49356 2/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
WEE1 P30291 1/20 0.32
TGM2 P21980 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL20037476 0.89 HSP90AA1 (0.35) OPRL1HRH3FNTAPGGT1BKCNH2
SCHEMBL20038395 0.85 TLR8 (0.38) OPRL1HRH3KCNH2DRD3ALDH1A1
SCHEMBL20038387 0.85 MDM2 (0.36) HTTSMN1; SMN2HRH3KCNH2HRH1
SCHEMBL20038349 0.85 KCNH2 (0.47) HTTSMN1; SMN2OPRL1HRH3S1PR1
SCHEMBL20255265 0.83 DRD3 (0.36) OPRL1HRH3KCNH2DRD3WEE1
SCHEMBL20038197 0.80 AR (0.36) HRH3FNTAPGGT1BKCNH2FNTB
SCHEMBL20255524 0.80 PIK3CD (0.35) HRH3KCNH2DRD3
SCHEMBL20255472 0.80 DRD3 (0.35) HRH3FNTAPGGT1BKCNH2FNTB
SCHEMBL20038056 0.80 PIK3CD (0.46) FNTAPGGT1BKCNH2FNTBDRD3
SCHEMBL23291481 0.78 KMT2A (0.47) HTTSMN1; SMN2HRH3FNTAPGGT1B

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HTT 3754/4885SMN1; SMN2 1690/4885OPRL1 4655/4885

“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.