Sugi Predict

Sugi Predict / Compounds / SCHEMBL3844546

SCHEMBL3844546

SCHEMBL3844546

c1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ HPGD P15428 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 7/20 0.54
▸ HSD17B10 Q99714 5/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ BRCA1 P38398 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ABCB11 O95342 1/20 0.53

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
SCHEMBL5952231 0.89 NPC1 (0.58) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17255209 0.89 NPC1 (0.64) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17255171 0.89 RAB9A (0.50) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL3842984 0.89 SMN1; SMN2 (0.64) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17255154 0.89 NPC1 (0.52) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL1789360 0.88 RAB9A (0.60) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17255159 0.85 RAB9A (0.67) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17268665 0.85 FOXO1 (0.47) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17268723 0.85 RAB9A (0.50) RAB9ANPC1GAAHPGDSMN1; SMN2
SCHEMBL17255317 0.85 MAPT (0.53) RAB9ANPC1GAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 — — US claimed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 — — EP claimed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 — — US disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 — — US disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 — — US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 — — US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 — — US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 — — US disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 — — EP disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 — — EP disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 — — US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 — — US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 — — US disclosed
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 — — EP disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 — — US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 — — US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 — — US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 — — EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 — — 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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 RAB9A 4061/4885NPC1 4568/4885GAA 4026/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 RAB9A 2493/4885NPC1 2422/4885GAA 2413/4885

“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.