SCHEMBL17939488

SCHEMBL17939488

C=CC(=O)N[C@H]1CCN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.50
▸ GSK3B P49841 1/20 0.44
▸ PLCG1 P19174 3/20 0.42
▸ BTK Q06187 2/20 0.42
▸ NTRK1 P04629 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NEK1 Q96PY6 1/20 0.41

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
SCHEMBL17939097 1.00 JAK3 (0.50) JAK3GSK3BPLCG1BTKNTRK1
SCHEMBL17939098 1.00 JAK3 (0.50) JAK3GSK3BPLCG1BTKNTRK1
SCHEMBL17939581 0.95 JAK3 (0.46) JAK3GSK3BPLCG1BTKNTRK1
SCHEMBL17939583 0.95 JAK3 (0.46) JAK3GSK3BPLCG1BTKNTRK1
SCHEMBL17939667 0.95 JAK3 (0.46) JAK3GSK3BPLCG1BTKNTRK1
SCHEMBL17939062 0.94 JAK3 (0.45) JAK3GSK3BPLCG1NTRK1MAPK1
SCHEMBL17939055 0.93 JAK3 (0.47) JAK3GSK3BPLCG1NTRK1MAPK1
SCHEMBL17939436 0.92 JAK3 (0.51) JAK3PLCG1BTK
SCHEMBL17939379 0.92 JAK3 (0.51) JAK3PLCG1BTK
SCHEMBL17939377 0.92 JAK3 (0.51) JAK3PLCG1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. 2019-04-11 — — US claimed
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2017-09-14 — — US claimed
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2016-07-28 — — US claimed
US-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. 2019-04-11 — — US disclosed
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2018-12-11 — — US disclosed
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2017-09-14 — — US disclosed
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2017-09-14 — — US disclosed
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2017-09-14 — — US disclosed
US-9695200-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer CONFLUENCE LIFE SCIENCES, INC. (US) 2017-07-04 — — US disclosed
US-9695200-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer CONFLUENCE LIFE SCIENCES, INC. (US) 2017-07-04 — — US disclosed
US-9695200-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer CONFLUENCE LIFE SCIENCES, INC. (US) 2017-07-04 — — US disclosed
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2016-07-28 — — US disclosed
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2016-07-28 — — US disclosed
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2016-07-28 — — 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 (4 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-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885GSK3B 1783/4885PLCG1 3621/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885GSK3B 1783/4885PLCG1 3621/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885GSK3B 1783/4885PLCG1 3621/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K JAK3 1704/4885GSK3B 1783/4885PLCG1 3621/4885

“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.

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