SCHEMBL17939239

SCHEMBL17939239

C=CC(=O)N(C)C1CN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.46
▸ NEK1 Q96PY6 1/20 0.46
▸ NTRK1 P04629 11/20 0.46
▸ PLCG1 P19174 2/20 0.46
▸ GSK3B P49841 1/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ PIK3CA P42336 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
SCHEMBL17939175 0.93 JAK3 (0.49) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939271 0.93 JAK3 (0.49) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939177 0.93 JAK3 (0.49) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17938957 0.92 SGK1 (0.48) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939017 0.91 JAK3 (0.46) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939015 0.91 JAK3 (0.46) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939484 0.91 JAK3 (0.46) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939494 0.91 JAK3 (0.47) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17939510 0.91 PLCG1 (0.52) JAK3NEK1NTRK1PLCG1GSK3B
SCHEMBL17938842 0.87 JAK3 (0.45) JAK3PLCG1

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 13 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
WO-2016118951-A2 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. (US) 2016-07-28 — — 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 (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 1704/4885NEK1 58/4885NTRK1 2003/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885NEK1 58/4885NTRK1 2003/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885NEK1 58/4885NTRK1 2003/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K JAK3 1704/4885NEK1 58/4885NTRK1 2003/4885

“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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