SCHEMBL16220176

SCHEMBL16220176

CC(C)(C)OC(=O)N1CCC(C#N)(c2cc(Cl)nc(Cl)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.45
JAK1 P23458 7/20 0.45
GPR119 Q8TDV5 5/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 2/20 0.37

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
SCHEMBL759249 0.82 POLB (0.42) JAK2JAK1GPR119POLBMEN1
SCHEMBL3561044 0.76 GRM5 (0.50) JAK2JAK1GPR119POLB
SCHEMBL3325807 0.76 GPR119 (0.41) JAK2JAK1GPR119KMT2AACACB
SCHEMBL31158355 0.76 POLB (0.42) JAK2JAK1GPR119POLBMEN1
SCHEMBL29814621 0.76 JAK2 (0.42) JAK2JAK1GPR119POLB
SCHEMBL3561664 0.76 GPR119 (0.41) JAK2JAK1GPR119
SCHEMBL26633627 0.76 POLB (0.42) JAK2JAK1GPR119POLBMEN1
SCHEMBL3048650 0.76 JAK2 (0.45) JAK2JAK1GPR119POLB
SCHEMBL22391949 0.76 JAK2 (0.42) JAK2JAK1GPR119POLB
SCHEMBL651457 0.75 OPRM1 (0.56) JAK2JAK1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 EP disclosed
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 EP disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 US disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 US disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 US disclosed
WO-2014177524-A1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO 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-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses TYMS, DPYD, TYMP JAK2 2157/4885JAK1 2784/4885GPR119 1367/4885

“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.