SCHEMBL20038053

SCHEMBL20038053

CNC1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.41
OGA O60502 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK4 P11802 5/20 0.39
CDK6 Q00534 3/20 0.39
PIM1 P11309 1/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18291587 0.83 HRH4 (0.46) HRH4OGAMEN1KMT2ASMN1; SMN2
SCHEMBL20037523 0.83 OGA (0.43) HRH4OGAMEN1KMT2ASMN1; SMN2
SCHEMBL13768899 0.81 KMT2A (0.59) MEN1KMT2ASMN1; SMN2PTPN11LMNA
SCHEMBL20249235 0.78 HRH4 (0.48) HRH4MEN1KMT2ASMN1; SMN2CDK4
SCHEMBL3826525 0.78 LMNA (0.43) OGAMEN1KMT2ASMN1; SMN2CDK4
SCHEMBL3828733 0.78 CYP1A2 (0.46) HRH4OGAMEN1KMT2ASMN1; SMN2
SCHEMBL25104869 0.78 HRH4 (0.37) HRH4OGA
SCHEMBL31713990 0.78 HRH4 (0.37) HRH4OGA
SCHEMBL30228927 0.78 HRH4 (0.37) HRH4OGA
SCHEMBL31714098 0.78 HRH4 (0.37) HRH4OGA

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 HRH4 1763/4885OGA 4627/4885MEN1 2609/4885

“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.