SCHEMBL2969113

SCHEMBL2969113

Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAP4K1 Q92918 1/20 0.36
PDGFRB P09619 4/20 0.36
KDR P35968 4/20 0.36
AAK1 Q2M2I8 1/20 0.36
ALPL P05186 1/20 0.35
LPL P06858 5/20 0.34
LIPG Q9Y5X9 5/20 0.34
DGAT1 O75907 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PIK3CG P48736 1/20 0.32
FFAR1 O14842 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
SCHEMBL15751423 0.84 GSK3A (0.38) GSK3AGSK3BPDGFRBKDRAAK1
SCHEMBL1585585 0.78 GSK3A (0.45) GSK3AGSK3BPDGFRBKDRAAK1
SCHEMBL15020477 0.78 BRD4 (0.49) BRD4GSK3AGSK3BPDGFRBKDR
SCHEMBL18125390 0.78 GSK3A (0.38) GSK3AGSK3BPDGFRBKDRAAK1
SCHEMBL15021276 0.77 BRD4 (0.51) BRD4GSK3AGSK3B
SCHEMBL30469348 0.76 LPL (0.50) GSK3AGSK3BLPLLIPG
SCHEMBL15020475 0.76 CSF1R (0.39) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL15020654 0.76 PIK3C3 (0.36) BRD4GSK3AGSK3BPDGFRBKDR
SCHEMBL15020517 0.76 PIK3C3 (0.38) BRD4GSK3AGSK3BPDGFRBKDR
SCHEMBL30322430 0.76 BRD4 (0.37) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021249913-A9 2'-(QUINOLIN-3-YL)-5',6'-DIHYDROSPIRO[AZETIDINE-3,4'-PYRROLO[1,2-B]PYRAZOLE]-1-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS MAP4K1 (HPK1) INHIBITORS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 WO disclosed
WO-2021249913-A1 2'-(QUINOLIN-3-YL)-5',6'-DIHYDROSPIRO[AZETIDINE-3,4'-PYRROLO[1,2-B]PYRAZOLE]-1-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS MAP4K1 (HPK1) INHIBITORS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 WO disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
WO-2014088519-A1 COMPOUNDS INCLUDING MAP KINASE INTERACTING KINASES 1 AND 2 (MNK1 AND MNK2) MODULATORS AND ABL AND ABL (T315I) INHIBITORS, AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2014-06-12 WO disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 BRD4 132/4885GSK3A 1761/4885GSK3B 1645/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS BRD4 569/4885GSK3A 298/4885GSK3B 168/4885

“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.