SCHEMBL3101351

SCHEMBL3101351

CN(C)CCNC(=O)c1ccc(-c2n[nH]c3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ AXL P30530 11/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ MERTK Q12866 10/20 0.37
▸ MET P08581 9/20 0.37
▸ TYRO3 Q06418 8/20 0.37
▸ FYN P06241 2/20 0.36
▸ CCNT1 O60563 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CCNA1 P78396 1/20 0.35

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
SCHEMBL3114517 0.93 AXL (0.40) MAPK1AXLMERTKMETTYRO3
SCHEMBL3107657 0.93 AXL (0.39) AXLBRD4MERTKMETTYRO3
SCHEMBL3107510 0.88 MET (0.41) AXLMERTKMETTYRO3
SCHEMBL3112723 0.88 AXL (0.37) AXLMERTKMETTYRO3
SCHEMBL3112020 0.87 MET (0.36) AXLMERTKMETTYRO3
SCHEMBL3104399 0.85 MET (0.40) AXLMERTKMETTYRO3
SCHEMBL13101896 0.84 AXL (0.52) AXLMERTKMET
SCHEMBL3106676 0.84 BRD4 (0.39) AXLBRD4MERTKMETTYRO3
SCHEMBL3109748 0.83 LRRK2 (0.39) AXLMERTKMETTYRO3
SCHEMBL3107037 0.82 LRRK2 (0.41) AXLBRD4CDK19MERTKMET

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-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US claimed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MAPK1 241/4885AXL 117/4885BRD4 3330/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MAPK1 241/4885AXL 117/4885BRD4 3330/4885

“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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