SCHEMBL19068207

SCHEMBL19068207

c1cc(-c2c[nH]c3ncc(N4CCCCC4)cc23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.53
▸ PIK3CA P42336 2/20 0.50
▸ SLC2A1 P11166 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ PIK3CG P48736 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ CDC42BPA Q5VT25 1/20 0.45
▸ CDC42BPB Q9Y5S2 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.45
▸ AXL P30530 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.45

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
SCHEMBL19068203 0.99 NTRK1 (0.54) NTRK1PIK3CASLC2A1MAPK1PIM1
SCHEMBL19068211 0.88 AXL (0.59) NTRK1KITROCK2AXLCDK8
SCHEMBL31235685 0.88 MAPK1 (0.59) NTRK1PIK3CAMAPK1PIM1PIM3
SCHEMBL19351251 0.87 AXL (0.61) NTRK1KITROCK2AXLCDK8
SCHEMBL19068206 0.86 ROCK2 (0.61) NTRK1PIK3CAMAPK1PIM1PIM3
SCHEMBL19351228 0.85 DYRK1A (0.59) NTRK1PIK3CAMAPK1PIM1PIM3
SCHEMBL17951910 0.81 NTRK1 (0.47) NTRK1PIK3CASLC2A1MAPK1PIK3CG
SCHEMBL17951905 0.80 NTRK1 (0.48) NTRK1PIK3CASLC2A1MAPK1KIT
SCHEMBL21557922 0.78 BRD4 (0.40) MAPK1ROCK2ROCK1CDC42BPB
SCHEMBL18860555 0.78 BRD4 (0.40) MAPK1ROCK2ROCK1CDC42BPB

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NTRK1 2003/4885PIK3CA 873/4885SLC2A1 4224/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K NTRK1 2003/4885PIK3CA 873/4885SLC2A1 4224/4885

“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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