SCHEMBL6601015

SCHEMBL6601015

O=C(Cc1ccncn1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
GSK3B P49841 2/20 0.46
KMT2A Q03164 3/20 0.41
NT5E P21589 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CYP19A1 P11511 1/20 0.41
PABPC1 P11940 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL2932069 0.84 RAB9A (0.65) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL15022087 0.84 LMNA (0.48) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL29986565 0.83 PLOD2 (0.53) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL29130629 0.83 PLOD2 (0.53) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL6202998 0.79 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL3252516 0.77 RAB9A (0.60) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL10908679 0.77 RAB9A (0.65) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL4102938 0.76 L3MBTL1 (0.68) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL9993146 0.75 RAB9A (0.67) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL28950040 0.74 RAB9A (0.88) RAB9ANPC1L3MBTL1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220232-A1 Novel process for making 5-substituted pyrazoles PHAMACIA CORPORATION 2004-11-04 US disclosed
US-6750338-B2 5-AMINO- AND 5-THIO- SUBSTITUTED; PREPARED FROM A METHYLENEDITHIETANE INTERMEDIATE PHARMACIA CORPORATION 2004-06-15 US disclosed
EP-1131318-B1 PROCESS FOR MAKING 5-SUBSTITUTED PYRAZOLES USING DITHIETANES SEARLE LLC (US) 2004-03-24 EP disclosed
EP-1380584-A1 Process for making 5-substituted pyrazoles using dithietanes G.D. SEARLE & CO. (US) 2004-01-14 EP disclosed
US-20030135057-A1 Novel process for making 5-substituted pyrazoles PHARMACIA CORPORATION 2003-07-17 US disclosed
US-6482955-B2 ORGANOMETALLIC REAGENT REACTED WITH AN ACTIVATED CARBOXYLIC ACID TO PRODUCE A KETONE REACTED WITH CARBON DISULFIDE AND DIHALOMETHANE, FURTHER REACTING THE DITHIETANE PRODUCT WITH A SECONDARY AMINE, AND CONDENSING THE THIOAMIDE WITH HYDRAZINE PHARMACIA CORPORATION 2002-11-19 US disclosed
US-6342608-B1 REACTING ORGANOMETALLIC REAGENT WITH ACTIVATED CARBOXYLIC ACID TO FORM KETONE, TREATING WITH MIXTURE OF CARBON DISULFIDE AND DIHALOMETHANE TO FORM DITHIETANE, REACTING WITH HYDRAZINE DERIVATIVE TO FORM THIOL-SUBSTITUTED PYRAZOLE, ALKYLATING G.D. SEARLE & COMPANY 2002-01-29 US disclosed
EP-1131318-A1 PROCESS FOR MAKING 5-SUBSTITUTED PYRAZOLES USING DITHIETANES G.D. SEARLE & CO. (US) 2001-09-12 EP disclosed
US-6242612-B1 Process for making substituted pyrazoles G. D. SEARLE & CO. 2001-06-05 US disclosed
WO-2001030154-A2 AGROCHEMICAL COMPOSITIONS CONTAINING PYRAZOLES AND USE THEREOF AS FUNGICIDAL PLANT PROTECTION AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-03 WO disclosed
US-6143892-A REACTING AN ORGANOMETALLIC COMPOUND WITH AN ACTIVATED FORM OF CARBOXYLIC ACID TO FORM A KETONE, TREATING KETONE WITH A MIXTURE OF CARBON DISULFIDE AND DIHALOMETHANE, AMIDATING WITH AMINE, CONDENSING THE THIOAMIDE WITH HYDRAZINE OR DERIVATIVE G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
WO-2000031072-A1 PROCESS FOR MAKING 5-SUBSTITUTED PYRAZOLES USING DITHIETANES G.D. SEARLE & CO. (US) 2000-06-02 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-20040220232-A1 Novel process for making 5-substituted pyrazoles MAP3K5, MAP4K2, MAPKAPK2 RAB9A 2827/4885NPC1 4518/4885L3MBTL1 4817/4885
US-20030135057-A1 Novel process for making 5-substituted pyrazoles MAP3K5, MAP4K2, MAPKAPK2 RAB9A 2827/4885NPC1 4518/4885L3MBTL1 4817/4885

“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.