SCHEMBL20038097

SCHEMBL20038097

FC1CCN(Cc2ccc(I)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
LTA4H P09960 2/20 0.41
KMT2A Q03164 1/20 0.40
CCR5 P51681 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL16193062 0.91 HRH3 (0.48) HRH3LTA4HKMT2ACNR2CHEK1
SCHEMBL20037952 0.91 HRH3 (0.48) HRH3LTA4HKMT2ACNR2CHEK1
SCHEMBL18291538 0.86 RAB9A (0.52) HRH3LTA4HKMT2AACHE
SCHEMBL20037827 0.83 HRH3 (0.48) HRH3LTA4HKMT2AACHE
SCHEMBL13187503 0.82 HRH3 (0.56) HRH3
SCHEMBL20037962 0.82 PDE1B (0.46) HRH3LTA4HKMT2A
SCHEMBL20255406 0.82 DRD2 (0.45) HRH3LTA4HKMT2A
SCHEMBL20038564 0.82 KMT2A (0.43) HRH3LTA4HKMT2A
SCHEMBL4591964 0.81 HRH3 (0.59) HRH3
SCHEMBL20037857 0.81 L3MBTL1 (0.51) HRH3LTA4HKMT2ACCR5

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 HRH3 2304/4885LTA4H 3374/4885KMT2A 670/4885

“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.