SCHEMBL17939447

SCHEMBL17939447

O=C(C=CCO)Nc1cccc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 16/20 0.63
▸ NTRK1 P04629 1/20 0.58
▸ BTK Q06187 3/20 0.56
▸ ITK Q08881 3/20 0.56

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
SCHEMBL17939446 1.00 PLCG1 (0.63) PLCG1NTRK1BTKITK
SCHEMBL17939787 0.91 PLCG1 (0.62) PLCG1NTRK1BTKITK
SCHEMBL17939788 0.91 PLCG1 (0.62) PLCG1NTRK1BTKITK
SCHEMBL17939143 0.90 PLCG1 (0.62) PLCG1NTRK1BTKITK
SCHEMBL17939077 0.90 PLCG1 (0.79) PLCG1NTRK1BTKITK
SCHEMBL17939145 0.90 PLCG1 (0.62) PLCG1NTRK1BTKITK
SCHEMBL17939076 0.90 PLCG1 (0.79) PLCG1NTRK1BTKITK
SCHEMBL17939611 0.88 PLCG1 (0.77) PLCG1BTKITK
SCHEMBL17939276 0.87 PLCG1 (0.59) PLCG1BTKITK
SCHEMBL17939278 0.87 PLCG1 (0.59) PLCG1BTKITK

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 5 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-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 3621/4885NTRK1 2003/4885BTK 481/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885NTRK1 2003/4885BTK 481/4885
US-20160213653-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K PLCG1 3621/4885NTRK1 2003/4885BTK 481/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K PLCG1 3621/4885NTRK1 2003/4885BTK 481/4885

“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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