SCHEMBL3094928

SCHEMBL3094928

COc1ccc(Cn2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
PRKAA2 P54646 2/20 0.36
F10 P00742 1/20 0.36
LSS P48449 1/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CFTR P13569 2/20 0.34
MET P08581 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL3107753 0.94 KCNK3 (0.39) KCNK3PRKAA2F10LSSBRD4
SCHEMBL3106942 0.92 MET (0.38) KCNK3METKDRAXL
SCHEMBL3111347 0.89 MET (0.37) KCNK3METMEN1KMT2AKDR
SCHEMBL3097919 0.89 MET (0.35) KCNK3METALDH1A1CYP1A2CASP1
SCHEMBL3104366 0.87 MET (0.36) KCNK3F10TP53METKDR
SCHEMBL3110040 0.87 CCR3 (0.39) PRKAA2TP53METAXL
SCHEMBL3107229 0.87 MET (0.35) KCNK3BRD4METKDRAXL
SCHEMBL3101444 0.87 MET (0.34) PRKAA2ABL1BCRMETJAK2
SCHEMBL3111090 0.87 MET (0.35) KCNK3PRKAA2ABL1BCRMET
SCHEMBL3113735 0.86 AXL (0.40) KCNK3BRD4METALDH1A1GLA

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-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 KCNK3 1727/4885PRKAA2 394/4885F10 4229/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KCNK3 1727/4885PRKAA2 394/4885F10 4229/4885

“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.