Sugi Predict

Sugi Predict / Compounds / SCHEMBL3104671

SCHEMBL3104671

SCHEMBL3104671

COc1ccc(Cn2nc(I)c3c(Oc4cc(Cl)c(N)cc4C)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPBWR1 P48145 7/20 0.37
▸ MCHR1 Q99705 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE8B O95263 2/20 0.33
▸ NR3C1 P04150 2/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CSF1R P07333 1/20 0.32

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
SCHEMBL3107937 0.91 CYP1A2 (0.39) MEN1KMT2AL3MBTL1NPBWR1MCHR1
SCHEMBL3104627 0.90 NPBWR1 (0.34) MEN1KMT2ANPBWR1MCHR1BUB1
SCHEMBL3108808 0.85 DCTPP1 (0.38) MEN1KMT2ANPBWR1MCHR1CYP3A4
SCHEMBL25245155 0.85 BTK (0.36) MEN1KMT2AL3MBTL1NPBWR1MCHR1
SCHEMBL30406047 0.85 BTK (0.36) MEN1KMT2AL3MBTL1NPBWR1MCHR1
SCHEMBL3098209 0.83 CYP1A2 (0.40) MEN1KMT2AL3MBTL1NPBWR1CYP1A2
SCHEMBL30310266 0.82 BTK (0.44) NPBWR1MCHR1CYP1A2CYP3A4CYP2D6
SCHEMBL3114532 0.81 NR3C1 (0.37) NPBWR1MCHR1CYP1A2CYP3A4CYP2D6
SCHEMBL17392483 0.81 NPBWR1 (0.46) MEN1KMT2AL3MBTL1NPBWR1MCHR1
SCHEMBL17406632 0.81 NPBWR1 (0.45) MEN1KMT2ANPBWR1MCHR1MAPT

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 MEN1 2329/4885KMT2A 4800/4885L3MBTL1 3364/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885L3MBTL1 3364/4885

“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.