SCHEMBL3112956

SCHEMBL3112956

COc1ccc(Cn2nc(-c3ccc(C(=O)N4CCOCC4)cc3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
KCNK3 O14649 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
LSS P48449 1/20 0.40
AXL P30530 1/20 0.40
PTGS2 P35354 1/20 0.39
CFTR P13569 1/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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 0.84 KCNK3 (0.39) SMN1; SMN2HPGDKCNK3ALDH1A1MAPT
SCHEMBL3101384 0.82 MET (0.53) KCNK3JAK2
SCHEMBL3109872 0.81 MET (0.43) SMN1; SMN2HPGDKCNK3ALDH1A1MAPT
SCHEMBL3101359 0.81 AXL (0.50) AXL
SCHEMBL3097491 0.81 AXL (0.46) SMN1; SMN2ALDH1A1MAPTKDM4EAXL
SCHEMBL28780214 0.81 BTK (0.42) SMN1; SMN2MAPTAXLMEN1KMT2A
SCHEMBL27761968 0.80 CCNT1 (0.39) SMN1; SMN2KCNK3AXLMEN1KMT2A
SCHEMBL1944006 0.78 AXL (0.52) SMN1; SMN2AXLCDK9JAK2TYK2
SCHEMBL3094928 0.77 KCNK3 (0.40) KCNK3ALDH1A1LSSAXLCFTR
SCHEMBL3101695 0.77 MET (0.38) KCNK3KDM4EAXLMEN1KMT2A

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 SMN1; SMN2 1840/4885HPGD 842/4885KCNK3 1727/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 SMN1; SMN2 1840/4885HPGD 842/4885KCNK3 1727/4885

“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.