SCHEMBL20249235

SCHEMBL20249235

CNC1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.48
PIM1 P11309 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK4 P11802 4/20 0.37
CDK6 Q00534 3/20 0.37
PTPN11 Q06124 1/20 0.36

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
SCHEMBL20249432 0.84 HRH4 (0.37) HRH4HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL20249147 0.81 LMNA (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL18291587 0.81 HRH4 (0.46) HRH4PIM1MEN1KMT2ASMN1; SMN2
SCHEMBL20249263 0.79 CDK4 (0.39) HRH4HRH3CDK4CDK6
SCHEMBL20249458 0.79 MAP4K4 (0.44) HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL20249141 0.79 LMNA (0.38) HRH4MEN1KMT2ASMN1; SMN2
SCHEMBL20249338 0.78 HRH4 (0.34) HRH4HRH3
SCHEMBL20038053 0.78 HRH4 (0.41) HRH4PIM1MEN1KMT2ASMN1; SMN2
SCHEMBL13768899 0.78 KMT2A (0.59) MEN1KMT2ASMN1; SMN2PTPN11
SCHEMBL20249316 0.78 HRH4 (0.40) HRH4HRH3MEN1KMT2ASMN1; SMN2

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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HRH4 1763/4885PIM1 596/4885HRH3 2304/4885

“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.