SCHEMBL20038056

SCHEMBL20038056

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
COMT P21964 1/20 0.34
HDAC1 Q13547 1/20 0.33
BTK Q06187 1/20 0.33
GPR55 Q9Y2T6 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
MAPT P10636 1/20 0.31
DYRK1A Q13627 1/20 0.31
FNTA P49354 2/20 0.31
PGGT1B P53609 2/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL20255524 0.90 PIK3CD (0.35) PIK3CDDRD3KCNH2CDK2
SCHEMBL20038232 0.89 NPC1 (0.44) PIK3CDNPC1RAB9AL3MBTL1GPR55
SCHEMBL18291667 0.86 DRD3 (0.48) PIK3CDNPC1RAB9AL3MBTL1DRD3
SCHEMBL20249300 0.82 PIK3CD (0.43) PIK3CDNPC1RAB9AL3MBTL1DRD3
SCHEMBL20255472 0.82 DRD3 (0.35) DRD3KCNH2BTKFNTAPGGT1B
SCHEMBL20255265 0.81 DRD3 (0.36) DRD3KCNH2
SCHEMBL20038198 0.80 HRH3 (0.39) DRD3KCNH2MAPT
SCHEMBL20038197 0.80 AR (0.36) DRD3KCNH2CDK2DYRK1AFNTA
SCHEMBL20038342 0.80 HTT (0.36) DRD3KCNH2FNTAPGGT1BFNTB
SCHEMBL20037522 0.79 NPC1 (0.35) NPC1RAB9AL3MBTL1DRD3GPR55

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 PIK3CD 144/4885NPC1 3302/4885RAB9A 2154/4885

“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.