SCHEMBL20132576

SCHEMBL20132576

Cc1ccc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 1.00
▸ FYN P06241 13/20 1.00
▸ ABL1 P00519 10/20 1.00
▸ YES1 P07947 9/20 1.00
▸ FGR P09769 9/20 1.00
▸ LYN P07948 8/20 1.00
▸ FRK P42685 7/20 1.00
▸ LCK P06239 6/20 1.00
▸ RET P07949 4/20 1.00
▸ PTK6 Q13882 8/20 0.69
▸ BLK P51451 7/20 0.69
▸ HCK P08631 7/20 0.69
▸ KIT P10721 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MTOR P42345 1/20 0.53
▸ RIPK2 O43353 1/20 0.53

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
SCHEMBL18258329 0.88 SRC (1.00) SRCFYNABL1YES1FGR
SCHEMBL18258362 0.87 SRC (0.77) SRCFYNABL1YES1FGR
SCHEMBL20132627 0.87 SRC (0.77) SRCFYNABL1YES1FGR
SCHEMBL18250086 0.87 SRC (1.00) SRCFYNABL1YES1FGR
SCHEMBL18258366 0.86 SRC (0.79) SRCFYNABL1YES1FGR
SCHEMBL18250084 0.86 SRC (1.00) SRCFYNABL1YES1FGR
SCHEMBL20132621 0.85 SRC (1.00) SRCFYNABL1YES1FGR
SCHEMBL26148254 0.85 SRC (0.74) SRCFYNABL1YES1FGR
SCHEMBL20132684 0.84 SRC (0.75) SRCFYNABL1YES1FGR
SCHEMBL18258372 0.82 SRC (1.00) SRCFYNABL1YES1FGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 — — US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 — — 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-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 SRC 3282/4885FYN 3631/4885ABL1 269/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 SRC 2785/4885FYN 3231/4885ABL1 204/4885

“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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