SCHEMBL17938846

SCHEMBL17938846

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 2/20 0.52
▸ JAK3 P52333 7/20 0.50
▸ ROCK1 Q13464 2/20 0.49
▸ CDC42BPB Q9Y5S2 2/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.44
▸ CLK1 P49759 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ EGFR P00533 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ NEK1 Q96PY6 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42

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
SCHEMBL17938847 1.00 PLCG1 (0.52) PLCG1JAK3ROCK1CDC42BPBROCK2
SCHEMBL17939448 1.00 PLCG1 (0.52) PLCG1JAK3ROCK1CDC42BPBROCK2
SCHEMBL17939189 0.95 PLCG1 (0.54) PLCG1JAK3ROCK1CDC42BPBROCK2
SCHEMBL17939187 0.95 PLCG1 (0.54) PLCG1JAK3ROCK1CDC42BPBROCK2
SCHEMBL17939636 0.95 PLCG1 (0.54) PLCG1JAK3ROCK1CDC42BPBROCK2
SCHEMBL17939699 0.92 JAK3 (0.50) JAK3EGFRBTKCCNT1CCNA2
SCHEMBL17938889 0.92 JAK3 (0.50) JAK3EGFRBTKCCNT1CCNA2
SCHEMBL17938886 0.92 JAK3 (0.50) JAK3EGFRBTKCCNT1CCNA2
SCHEMBL17939581 0.91 JAK3 (0.46) PLCG1JAK3ROCK1CDC42BPBEGFR
SCHEMBL17939583 0.91 JAK3 (0.46) PLCG1JAK3ROCK1CDC42BPBEGFR

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
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
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 1704/4885ROCK1 905/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885ROCK1 905/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885ROCK1 905/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K PLCG1 3621/4885JAK3 1704/4885ROCK1 905/4885

“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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