SCHEMBL17939384

SCHEMBL17939384

C=CC(=O)N(C)[C@@H]1CCCN(c2cnc3[nH]cc(-c4ccccc4)c3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.46
▸ SGK1 O00141 5/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ AXL P30530 6/20 0.43
▸ CAMKK2 Q96RR4 3/20 0.43
▸ NEK1 Q96PY6 1/20 0.42
▸ AURKA O14965 2/20 0.42
▸ SGK2 Q9HBY8 2/20 0.42
▸ CAMKK1 Q8N5S9 1/20 0.42
▸ SGK3 Q96BR1 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ RPS6KA5 O75582 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
SCHEMBL17939028 1.00 JAK3 (0.46) JAK3SGK1PLCG1AXLCAMKK2
SCHEMBL17939031 1.00 JAK3 (0.46) JAK3SGK1PLCG1AXLCAMKK2
SCHEMBL17939014 0.95 JAK3 (0.50) JAK3SGK1PLCG1AXLCAMKK2
SCHEMBL17939567 0.95 JAK3 (0.50) JAK3SGK1PLCG1AXLCAMKK2
SCHEMBL17939012 0.95 JAK3 (0.50) JAK3SGK1PLCG1AXLCAMKK2
SCHEMBL17939354 0.93 PLCG1 (0.48) JAK3PLCG1NEK1ROCK2NTRK1
SCHEMBL17939352 0.93 PLCG1 (0.48) JAK3PLCG1NEK1ROCK2NTRK1
SCHEMBL17939767 0.93 PLCG1 (0.48) JAK3PLCG1NEK1ROCK2NTRK1
SCHEMBL17939484 0.92 JAK3 (0.46) JAK3PLCG1NEK1ROCK2NTRK1
SCHEMBL17939017 0.92 JAK3 (0.46) JAK3PLCG1NEK1ROCK2NTRK1

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
WO-2016118951-A2 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. (US) 2016-07-28 — — WO 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 1704/4885SGK1 658/4885PLCG1 3621/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885PLCG1 3621/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885PLCG1 3621/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885PLCG1 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.

Send feedback