SCHEMBL19068211

SCHEMBL19068211

c1ccc(-c2c[nH]c3ncc(N4CCCCC4)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.59
▸ CDK8 P49336 2/20 0.59
▸ TNIK Q9UKE5 2/20 0.59
▸ JAK2 O60674 2/20 0.57
▸ ROS1 P08922 2/20 0.57
▸ MARK3 P27448 2/20 0.57
▸ FLT3 P36888 2/20 0.57
▸ STK3 Q13188 2/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PRKCG P05129 1/20 0.57
▸ INSR P06213 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ FES P07332 1/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ PHKG2 P15735 1/20 0.57

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
SCHEMBL19351251 0.99 AXL (0.61) AXLCDK8TNIKJAK2ROS1
SCHEMBL19068207 0.88 NTRK1 (0.53) AXLCDK8TNIKROCK2KIT
SCHEMBL19068206 0.88 ROCK2 (0.61) ROCK2DYRK1ALRRK2KITNTRK1
SCHEMBL19068203 0.87 NTRK1 (0.54) AXLCDK8TNIKKITNTRK1
SCHEMBL19351228 0.86 DYRK1A (0.59) ROCK2CDK2DYRK1ALRRK2KIT
SCHEMBL17952137 0.81 AXL (0.52) AXLCDK8TNIKJAK2ROS1
SCHEMBL17951906 0.79 AXL (0.53) AXLCDK8TNIKJAK2ROS1
SCHEMBL21557922 0.79 BRD4 (0.40) ROCK2MAP4K4JAK3
SCHEMBL18860555 0.79 BRD4 (0.40) ROCK2MAP4K4JAK3
SCHEMBL18860544 0.77 BRD4 (0.41) JAK3

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 AXL 3309/4885CDK8 395/4885TNIK 8/4885
US-20170260211-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K AXL 3309/4885CDK8 395/4885TNIK 8/4885

“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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