SCHEMBL16821986

SCHEMBL16821986

CC1(C)[C@H](N)C[C@@H]1c1ncn(C2CCCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
YTHDC1 Q96MU7 1/20 0.33
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.32
PI4KA P42356 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ADCY1 Q08828 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GAA P10253 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL16822202 0.79 CYP4F2 (0.34) CYP2C19YTHDC1CYP4F2CYP4A11
SCHEMBL12525140 0.73 ALDH1A1 (0.41) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL22068702 0.71 EPHX1 (0.38) MEN1ALDH1A1KMT2AGAA
SCHEMBL2145229 0.70 CYP2C19 (0.42) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL7957947 0.70 CYP2C19 (0.36) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL11854529 0.68 LMNA (0.44) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL11853635 0.68 CYP2C19 (0.35) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL11971064 0.68 CYP2C19 (0.38) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL11856775 0.67 CYP2C19 (0.36) CYP2C19YTHDC1TP53CYP2C9NFKB1
SCHEMBL31496870 0.67 CYP2C19 (0.36) CYP2C19YTHDC1TP53CYP2C9NFKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3736268-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2020-11-11 EP disclosed
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-9783505-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-10 US disclosed
US-9556126-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 US disclosed
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-12-08 US disclosed
US-9156798-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-10-13 US disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 US disclosed
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-06-25 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 (3 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP2C19 4411/4885YTHDC1 2942/4885TP53 1186/4885
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP2C19 4411/4885YTHDC1 2942/4885TP53 1186/4885
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP2C19 4411/4885YTHDC1 2942/4885TP53 1186/4885

“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.