SCHEMBL17939014

SCHEMBL17939014

C=CC(=O)N(C)C1CCN(c2cnc3[nH]cc(-c4ccccc4)c3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.50
▸ SGK1 O00141 4/20 0.45
▸ AXL P30530 6/20 0.44
▸ CAMKK2 Q96RR4 2/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ NEK1 Q96PY6 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ AURKA O14965 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ INSR P06213 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ FES P07332 2/20 0.43
▸ ROS1 P08922 2/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ PHKG2 P15735 2/20 0.43
▸ FER P16591 2/20 0.43
▸ FLT1 P17948 2/20 0.43

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
SCHEMBL17939012 1.00 JAK3 (0.50) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17939567 1.00 JAK3 (0.50) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17939384 0.95 JAK3 (0.46) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17939031 0.95 JAK3 (0.46) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17939028 0.95 JAK3 (0.46) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17938935 0.95 JAK3 (0.48) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17938957 0.93 SGK1 (0.48) JAK3SGK1AXLCAMKK2PLCG1
SCHEMBL17939731 0.92 PLCG1 (0.49) JAK3PLCG1NEK1DYRK1AEGFR
SCHEMBL17939584 0.92 PLCG1 (0.49) JAK3PLCG1NEK1DYRK1AEGFR
SCHEMBL17939582 0.92 PLCG1 (0.49) JAK3PLCG1NEK1DYRK1AEGFR

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 6 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-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-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

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 658/4885AXL 3309/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885AXL 3309/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885AXL 3309/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K JAK3 1704/4885SGK1 658/4885AXL 3309/4885

“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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