SCHEMBL16865003

SCHEMBL16865003

Cc1nccc(C(=O)N2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)c1F

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.84
JAK1 P23458 12/20 0.84
TYK2 P29597 1/20 0.84
AXL P30530 1/20 0.84
JAK3 P52333 1/20 0.84
TYRO3 Q06418 1/20 0.84
MERTK Q12866 1/20 0.84

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
Itacitinib SCHEMBL2396080 0.91 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
Itacitinib SCHEMBL29360482 0.91 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
Itacitinib SCHEMBL29377548 0.91 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
Itacitinib SCHEMBL29456952 0.91 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
SCHEMBL2396847 0.90 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
SCHEMBL29422091 0.90 JAK2 (1.00) JAK2JAK1TYK2AXLJAK3
SCHEMBL2398710 0.90 JAK2 (0.90) JAK2JAK1TYK2AXLJAK3
SCHEMBL2392525 0.88 JAK2 (1.00) JAK2JAK1
SCHEMBL29422106 0.88 JAK2 (1.00) JAK2JAK1
SCHEMBL2396930 0.88 JAK2 (1.00) JAK2JAK1

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
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 WO disclosed
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2016-12-01 US disclosed
US-20150183805-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION 2015-07-02 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-20150183805-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 6/4885
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 6/4885

“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.