SCHEMBL3095415

SCHEMBL3095415

COc1ccc(Cn2nc(N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
PREP P48147 2/20 0.34
STS P08842 1/20 0.34
BTK Q06187 1/20 0.34
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33
TP53 P04637 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL5144054 1.00 SRC (0.38) SRCALDH1A1KDM1ADNMT3AABL1
SCHEMBL3112880 1.00 SRC (0.38) SRCALDH1A1KDM1ADNMT3AABL1
SCHEMBL3103567 0.92 JAK1 (0.37) ALDH1A1JAK1JAK2TYK2JAK3
SCHEMBL3106664 0.91 ALDH1A1 (0.45) SRCALDH1A1KDM1ADNMT3AJAK2
SCHEMBL1945933 0.84 KDM1A (0.39) SRCALDH1A1KDM1ADNMT3APREP
SCHEMBL3101367 0.84 ALDH1A1 (0.41) SRCALDH1A1KDM1ADNMT3AJAK2
SCHEMBL1944319 0.83 GPR119 (0.41) ALDH1A1KDM1A
SCHEMBL3114724 0.83 BACE1 (0.39) SRCALDH1A1KDM1ASTS
SCHEMBL3112722 0.83 MET (0.46)
SCHEMBL3109231 0.83 AXL (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO 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 SRC 53/4885ALDH1A1 1929/4885KDM1A 4831/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 SRC 53/4885ALDH1A1 1929/4885KDM1A 4831/4885

“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.