SCHEMBL17939436

SCHEMBL17939436

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.51
▸ JAK2 O60674 3/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ EGFR P00533 2/20 0.45
▸ AXL P30530 4/20 0.44
▸ RIPK1 Q13546 1/20 0.44
▸ SGK1 O00141 1/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ BTK Q06187 1/20 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
SCHEMBL17939377 1.00 JAK3 (0.51) JAK3JAK2JAK1EGFRAXL
SCHEMBL17939379 1.00 JAK3 (0.51) JAK3JAK2JAK1EGFRAXL
SCHEMBL17938886 0.95 JAK3 (0.50) JAK3JAK2JAK1EGFRRIPK1
SCHEMBL17938889 0.95 JAK3 (0.50) JAK3JAK2JAK1EGFRRIPK1
SCHEMBL17939699 0.95 JAK3 (0.50) JAK3JAK2JAK1EGFRRIPK1
SCHEMBL17939420 0.94 JAK3 (0.49) JAK3JAK2JAK1EGFRAXL
SCHEMBL17939184 0.92 JAK2 (0.48) JAK3JAK2JAK1EGFRAXL
SCHEMBL17939189 0.92 PLCG1 (0.54) JAK3EGFRPLCG1
SCHEMBL17939187 0.92 PLCG1 (0.54) JAK3EGFRPLCG1
SCHEMBL17939636 0.92 PLCG1 (0.54) JAK3EGFRPLCG1

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 JAK3 1704/4885JAK2 408/4885JAK1 1226/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885JAK2 408/4885JAK1 1226/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K JAK3 1704/4885JAK2 408/4885JAK1 1226/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K JAK3 1704/4885JAK2 408/4885JAK1 1226/4885

“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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