SCHEMBL16724580

SCHEMBL16724580

CC(C)(C)OC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@]2(F)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.45
STS P08842 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HTR6 P50406 2/20 0.39
CYP19A1 P11511 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
SCHEMBL16714596 0.84 CYP19A1 (0.44) ALDH1A1CYP19A1
SCHEMBL20274484 0.77 RORC (0.43) RORCSTSOPRD1OPRK1JAK2
SCHEMBL20274598 0.76 CYP19A1 (0.47) ALDH1A1CYP19A1
SCHEMBL16724579 0.76 CYP19A1 (0.47) ALDH1A1CYP19A1
SCHEMBL22950454 0.74 RORC (0.42) RORCSTSOPRD1OPRK1JAK2
SCHEMBL29471673 0.74 RORC (0.41) RORCSTSOPRD1OPRK1JAK2
SCHEMBL22950459 0.72 OPRD1 (0.45) RORCSTSOPRD1OPRK1JAK2
SCHEMBL29662090 0.72 OPRD1 (0.45) RORCSTSOPRD1OPRK1JAK2
SCHEMBL20722455 0.71 RORC (0.47) RORCSTSOPRD1OPRK1JAK2
SCHEMBL13657954 0.71 RORC (0.47) RORCSTSOPRD1OPRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 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-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 RORC 2392/4885STS 4322/4885OPRD1 2386/4885

“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.