SCHEMBL20037845

SCHEMBL20037845

FC(F)(F)CN1CCN(Cc2ccc(I)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PPARD Q03181 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.35
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20038290 0.82 KMT2A (0.43) MEN1KMT2AATMALDH1A1HRH3
SCHEMBL18291697 0.82 MAP3K11 (0.39) MAP3K11MEN1KMT2AATMALDH1A1
SCHEMBL20037948 0.80 HRH3 (0.43) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL20037892 0.80 ALDH1A1 (0.54) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL20255426 0.80 LMNA (0.53) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL4591964 0.79 HRH3 (0.59) ALDH1A1KDM4EHRH3POLBSMN1; SMN2
SCHEMBL20037939 0.79 MEN1 (0.42) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL20038097 0.78 HRH3 (0.46) KMT2AHRH3
SCHEMBL4592086 0.77 CCR5 (0.46) MEN1KMT2AATMHRH3PPARD
SCHEMBL18291437 0.77 ALDH1A1 (0.50) MAP3K11MEN1KMT2AATMALDH1A1

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 MAP3K11 159/4885MEN1 2609/4885KMT2A 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.