SCHEMBL17939731

SCHEMBL17939731

C=CC(=O)N(C)[C@H]1CCN(c2cnc3[nH]cc(-c4cccnc4)c3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 3/20 0.49
▸ JAK3 P52333 6/20 0.47
▸ NEK1 Q96PY6 2/20 0.46
▸ DYRK1A Q13627 5/20 0.44
▸ CLK1 P49759 3/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EGFR P00533 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
SCHEMBL17939582 1.00 PLCG1 (0.49) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939584 1.00 PLCG1 (0.49) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939352 0.95 PLCG1 (0.48) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939354 0.95 PLCG1 (0.48) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939767 0.95 PLCG1 (0.48) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939404 0.95 PLCG1 (0.51) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939510 0.93 PLCG1 (0.52) PLCG1JAK3NEK1DYRK1ACLK1
SCHEMBL17939567 0.92 JAK3 (0.50) PLCG1JAK3NEK1DYRK1ANTRK1
SCHEMBL17939012 0.92 JAK3 (0.50) PLCG1JAK3NEK1DYRK1ANTRK1
SCHEMBL17939014 0.92 JAK3 (0.50) PLCG1JAK3NEK1DYRK1ANTRK1

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 12 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 disclosed
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 PLCG1 3621/4885JAK3 1704/4885NEK1 58/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885NEK1 58/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885NEK1 58/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885NEK1 58/4885

“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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