SCHEMBL14801490

SCHEMBL14801490

CC(C)(C)OC(=O)O[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 2/20 0.37
NR1I2 O75469 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL14801489 1.00 KMT2A (0.37) KMT2AL3MBTL1RORCNR1I2NPFFR1
SCHEMBL14801488 1.00 KMT2A (0.37) KMT2AL3MBTL1RORCNR1I2NPFFR1
SCHEMBL16728431 0.93 RORC (0.42) RORCOPRD1OPRK1
SCHEMBL14805536 0.93 RORC (0.42) RORCOPRD1OPRK1
SCHEMBL14801928 0.83 CYP2D6 (0.42) CYP2D6ALDH1A1
SCHEMBL14801926 0.83 CYP2D6 (0.42) CYP2D6ALDH1A1
SCHEMBL14801925 0.83 CYP2D6 (0.42) CYP2D6ALDH1A1
SCHEMBL16728429 0.82 RORC (0.43) KMT2ARORCOPRD1OPRK1CYP2D6
SCHEMBL20274569 0.82 RORC (0.43) KMT2ARORCOPRD1OPRK1CYP2D6
SCHEMBL14805534 0.82 RORC (0.43) KMT2ARORCOPRD1OPRK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 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 (2 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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS KMT2A 2083/4885L3MBTL1 875/4885RORC 3322/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS KMT2A 2083/4885L3MBTL1 875/4885RORC 3322/4885

“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.