SCHEMBL16570102

SCHEMBL16570102

CC(=O)N(C)c1ncccc1Cn1ccc2cnc(Nc3ccc(N4CCNC(C)C4)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 10/20 0.48
▸ JAK3 P52333 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ WEE1 P30291 2/20 0.41
▸ CDK4 P11802 5/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ CDK6 Q00534 1/20 0.39

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
SCHEMBL16580797 1.00 STAT6 (0.48) STAT6JAK3ADRA2AADRA2BADRA2C
SCHEMBL16570511 0.93 STAT6 (0.46) STAT6JAK3ADRA2AADRA2BADRA2C
SCHEMBL16570512 0.93 STAT6 (0.46) STAT6JAK3ADRA2AADRA2BADRA2C
SCHEMBL16580876 0.90 STAT6 (0.51) STAT6JAK3ADRA2AADRA2BADRA2C
SCHEMBL16570779 0.90 STAT6 (0.51) STAT6JAK3ADRA2AADRA2BADRA2C
SCHEMBL16570619 0.88 PTK2 (0.51) STAT6JAK3WEE1
SCHEMBL16570019 0.88 PTK2 (0.51) STAT6JAK3WEE1
SCHEMBL16569859 0.88 PTK2 (0.51) STAT6JAK3WEE1
Hydrochloric Acid SCHEMBL17958814 0.88 PTK2 (0.50) STAT6JAK3WEE1
Hydrochloric Acid SCHEMBL16570527 0.88 PTK2 (0.50) STAT6JAK3WEE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 — — 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-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN STAT6 103/4885JAK3 124/4885ADRA2A 3261/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR STAT6 4770/4885JAK3 611/4885ADRA2A 1676/4885

“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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